tobacco

1

THE

CHEMICAL COMPONENTS

OF

TOBACCO

AND

TOBACCO SMOKE

by

Alan Rodgman

2828 Birchwood Drive

Winston-Salem, North Carolina,

27103-3410, USA

and

Thomas A. Perfetti

Perfetti and Perfetti, LLC

2116 New Castle Drive

Winston-Salem, North Carolina,

27103-5750, USA

ALPHABETICAL INDEX

TO COMPONENTS

IDENTIFIED

IN TOBACCO,

TOBACCO SMOKE,

AND

TOBACCO SUBSTITUTE

SMOKE

2

The Alphabetical Index to Components Identified in Tobacco, Tobacco

Smoke, and Tobacco Substitute Smoke The Index was created for two purposes. The first was to capture in one site all the basic information on

the identified tobacco and tobacco smoke components discussed in the chapters of the book. The

components in the Index are listed alphabetically. Secondly, the Index may permit the reader to easily

retrieve or search for information on a specific tobacco and/or smoke component or class of components so

that further study will be facilitated. To achieve these goals, the Index was constructed to include the

following: 1) The CAS No. for many of the components, 2) an indication of the component identification in

tobacco, tobacco smoke, or both, 3) the structure of many of the components, 4) the table number and

chapter in which the component is not only referenced but its properties are described, particularly if they

are considered adverse, 5) for multifunctional components, several chapters and table numbers are cited.

Additionally, the publishers of the book, Taylor and Francis Books/CRC Press of Boca Raton, FL, have

provided a Compact Disk (read-only memory) (CD-ROM) format of the book. Hopefully, the searchable

format of the CD-ROM will aid the reader in retrieving any desired information.

The Index comprises almost 8700 components completely or partially identified in tobacco, tobacco smoke,

and tobacco substitute smoke. It includes not only over 8400 identified components but also several

hundred compounds not identified in tobacco or tobacco smoke but reported by Doull et al. (1053) as

tobacco ingredients used in the U.S.A. and by Baker et al. (172a, 174b) as tobacco ingredients used outside

the U.S.A. and in a summary by Rodgman (3266) and in our Chapter 24. Because the transfer from a

tobacco product to smoke of very few of the added ingredients has been examined, they primarily are listed

as tobacco components. Exceptions include several humectants used in tobacco products for many years.

However, it should be noted that the detailed pyrolysis study by Baker and Bishop (172a) indicated that

many such added ingredients would transfer in part to MSS during the tobacco smoking process.

In some instances, the reader may wonder about the peculiar nature of the component listing. For example,

a tobacco smoke component initially reported as 2-butene was later shown to be present in the smoke as

cis- and trans-2-butene. Thus, three items are listed in the Index for 2-butene, namely, 2-butene (CAS No.

107-10-7), 2-butene, (Z)- (CAS No. 590-18-1), and 2-butene, (E)- (CAS No. 624-64-6). In the appropriate

chapter and table, Chapter 1, Table I.B-1, references to the identification of each are provided. 2-

Butenedioic acid is similarly listed in Chapter 4, Table IV.A-3 as 2-butenedioic acid (CAS No. 6915-18-0),

2-butenedioic acid, (Z)- (maleic acid) (CAS No. 110-16-7), 2-butenedioic acid, (E)- (fumaric acid) (CAS

No. 110-17-8).

The reader will also find in the Index certain broad classifications of components, like oxidases and free

radicals. These and similar examples in the Index are not there to confuse the reader, as many of the

3

individual components in the broad classifications have specific CAS numbers a. Generally, the references

associated with these classes of components (found within the chapters noted in the Index) will provide the

reader with information of a common nature. In nearly all cases, individual components such as ascorbate

oxidase, choline oxidase, cytochrome oxidase, and glycolate oxidase follow after the broadly classified

component, oxidase. Likewise, specific free radicals such as methyl-acyl radical, ethyl-acyl radical, and

propyl-acyl radical {2 isomers}may be found in the Index. For some components in the Index, several

partially identified isomers exist, their number noted, and included in the total number of components

identified in tobacco and/or smoke.

While the number of enzymes, genes, and nucleotides listed in the Index is fewer than 500, their known

number, as noted in Chapter 21, exceeds many thousands. The paltry number of enzymes, genes, and

nucleotides listed in Chapter 21, Table XXI-2 was never intended to represent the total biological agents

operating in the plant. Those selected for inclusion were from texts, research manuscripts, and patents

where active research was conducted in the past in attempts to better understand the physiology and

biochemistry of tobacco. As future genetic research develops, it is envisioned that the identity and function

of hundreds of thousands of additional chemicals will be published.

The authors hope that the format of the Index and accompanying CD-ROM will help the reader to reach a

better understanding of the components of tobacco and tobacco smoke.

a Each CAS Registry Number used throughout the Alphabetical Components Index and the various preceding chapters

is a Registered Trademark of the American Chemical Society.

4

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

Note: S = tobacco smoke component, T = tobacco component, ST = component of both S and T


CAS No.

S

T

S

T

Name (per CA Collective Index)

Selected structures

Chapter

Table

1. 202-03-9 1 0 0 Aceanthrylene

I.E

2. 340-99-8 1 0 0 Acenaphth[1,2-a]acenaphthylene

I.E

3. 71265-26-4 1 0 0 Acenaphth[1,2-a]acenaphthylene, methyl- I.E

4. 206-49-5 1 0 0 Acenaphtho[1,2-b]pyridine {7-azafluoranthene}

N

XVII.E

5. 208-96-8 1 0 0 Acenaphthylene 1 2

3

4

56

7

8

I.E

6. 83-32-9 1 0 0 Acenaphthylene, 1,2-dihydro- {acenaphthene}

I.E

7. 60684-29-9 1 0 0 Acenaphthylene, 1,2-dihydrodimethyl- I.E

8. 36541-21-6 1 0 0 Acenaphthylene, 1,2-dihydromethyl- I.E

9. 60826-72-4 1 0 0 Acenaphthylene, 1,2-dihydrotetramethyl- I.E

10. 60826-69-9 1 0 0 Acenaphthylene, 1,2-dihydrotrimethyl- I.E

11. 60826-68-8 1 0 0 Acenaphthylene, dimethyl- I.E

12. 19346-00-0 1 0 0 Acenaphthylene, 1,3-dimethyl- I.E

13. 58548-40-6 1 0 0 Acenaphthylene, diphenyl- I.E

14. 58548-38-2 1 0 0 Acenaphthylene, methyl- I.E

15. 19345-99-4 1 0 0 Acenaphthylene, 1-methyl- I.E




19. 60826-73-5 1 0 0 Acenaphthylene, tetramethyl- I.E

20. 60826-70-2 1 0 0 Acenaphthylene, trimethyl- I.E

21. 201-06-9 1 0 0 Acephenanthrylene

I.E

22. 6232-48-0 1 0 0 Acephenanthrylene, 4,5-dihydro- I.E

5


CAS No.

S

T

S

T


Selected structures

Chapter

Table

23. 75-07-0 1 0 0 Acetaldehyde H3C-CH=O III-12

24. 5371-49-3 1 0 0 Acetaldehyde, (acetyloxy)- H3C-COO-CH2-CH=O III-12

25. 6542-88-7 1 0 0 Acetaldehyde, amino- H2N-CH2-CH=O III-12, XII-2

26. 141-46-8 1 0 0 Acetaldehyde, hydroxy- {glycolaldehyde} HO-CH2-CH=O III-12, II.A-6

27. 1 0 0 Acetaldehyde, methoxy- H3C-O-CH2-CH=O III-12, X-2

28. 16825-04-0 0 1 0 Acetaldehyde, (2,6,6-trimethyl-4-oxo-2-cyclohexen-1-ylidene)-

H3C CH3

CH2-CH=O

CH3O

III-12, III-13

29. 60-35-5 1 0 0 Acetamide H3C-CO-NH2 XIII-1

30. 1113-68-4 1 1 1 Acetamide, N-acetyl-N-methyl- CH3

CO-CH3<H3C-CO-N

XIII-1

31. 1119-49-9 1 0 0 Acetamide, N-butyl- H3C-CO-NH-C4H9 XIII-1

32. 15972-60-8 0 1 0 Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)- {Alachlor®}

C2H5

N

CO-CH2-Cl

CH3

CH2-OCH3

XIII-1, XVIII.B-3,

XXI-3

33. 51218-45-2 0 1 0 Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)- {Metolachlor®}

C2H5

N

CO-CH2-Cl

CH3

CH-CH2-OCH3

CH3

X-2, XIII-1,

XVIII.B-3, XXI-3

34. 107-91-5 1 0 0 Acetamide, 2-cyano- NC-CH2-CO-NH2 XI-2, XIII-1

35. 57966-95-7 0 1 0 Acetamide, 2-cyano-2-methoxyimino-N-(ethylcarbamoyl)- {Cymoxanil®}

CN

O OO

N

NH

NH

XI-2, XIII-1, XXI-3

36. 685-91-6 1 0 0 Acetamide, N,N-diethyl- H3C-CO-N=(C2H5)2 XIII-1

37. 127-19-5 1 1 1 Acetamide, N,N-dimethyl H3C-CO-N=(CH3)2 XIII-1

38. 625-50-3 1 0 0 Acetamide, N-ethyl- H3C-CO-NH-C2H5 XIII-1

39. 38806-26-7 1 0 0 Acetamide, N-ethyl-N-methyl- CH3

C2H5<H3C-CO-N

XIII-1

40. 5663-62-7 1 0 0 Acetamide, N-(2-furanylmethyl)- X-2, XIII-1

41. 621-42-1 0 1 0 Acetamide, 3-hydroxyphenyl- IX-22, XIII-1

42. 79-16-3 1 0 0 Acetamide, N-methyl- H3C-CO-NH-CH3 XIII-1

43. 54824-90-7 1 0 0 Acetamide, N-(2-methylbutyl)- H3C-CO-NH-CH2-CH(CH3)-C2H5 XIII-1

44. 13434-12-3 0 1 0 Acetamide, N-(3-methylbutyl) H3C-CO-NH-(CH2)2-CH=(CH3)2 XIII-1

45. 1189-05-5 1 0 0 Acetamide, N-(1-methylpropyl)- H3C-CO-NH-CH(CH3)-C2H5 XIII-1

46. 1540-94-9 1 1 1 Acetamide, N-(2-methylpropyl)- H3C-CO-NH-CH2-CH=(CH3)2 XIII-1

47. 7737-16-8 1 0 0 Acetamide, N-(2-oxopropyl)- H3C-CO-NH-CH2-CO-CH3 III-13, XIII-1

48. 103-84-4 1 0 0 Acetamide, N-phenyl- H3C-CO-NH-C6H5 XIII-1

49. 877-95-2 1 0 0 Acetamide, N-(2-phenylethyl)- H3C-CO-NH-CH2-CH2-C6H5 XIII-1

50. 692-33-1 1 0 0 Acetamide, N-2-propenyl- H3C-CO-NH-CH2-CH=CH2 XIII-1

51. 5331-48-6 1 0 0 Acetamide, N-propyl- H3C-CO-NH-C3H7 XIII-1

52. 354-38-1 1 0 0 Acetamide, 2,2,2-trifluoro- F3C-CO-NH2 XIII-1, XVIII.B-3

6


CAS No.

S

T

S

T


Selected structures

Chapter

Table

53. 16752-77-5 0 1 0 Acetamidic acid, thio-, N-[(methylcarbamoyl)oxy]-, methyl ester {Methomyl®}

S N

O

O NH

XIII-1, XXI-3

54. 1 0 0 Acetate H3C-COO- XX-6

55. 64-19-7 1 1 1 Acetic acid H3C-COOH IV.A-3

56. 13831-30-6 1 1 1 Acetic acid, (acetyloxy)- H3C-COO-CH2-COOH IV.A-3, V-3

57. 108-24-7 1 0 0 Acetic acid, anhydride (H3C-CO)2O VII-1

58. 162188-92-3 0 1 0 Acetic acid, bromo-, 7,9,9-trimethyl-8-oxo-1,4-

dioxaspiro[4.5]dec-7-yl ester, (±)-

V-3, XVIII.B-3

59. 123-86-4 1 1 1 Acetic acid, butyl ester {butyl acetate} H3C-COO-C4H9 V-3

60. 79-43-6 0 1 0 Acetic acid, dichloro- Cl2CH-COOH IV.A-3

61. 94-75-7 0 1 0 Acetic acid, 2,4-dichlorophenoxy- {2,4-D} IV.A-3, X-2, XXI-3

62. 162188-93-4 0 1 0 Acetic acid, (diethoxyphosphinyl)-, 7,9,9-trimethyl-8-

oxo-1,4-dioxaspiro[4.5]dec-7-yl ester, (±)-

V-3, X-2

63. 32833-96-8 0 1 0 Acetic acid, (dimethylamino)oxo- (H3C)2=N-CO-COOH IV.A-3, V-3

64. 108-05-4 1 0 0 Acetic acid, ethenyl ester {vinyl acetate} H3C-COO-CH=CH2 V-3

65. 141-78-6 1 1 1 Acetic acid, ethyl ester {ethyl acetate} H3C-COO-C2H5 V-3

66. 123617-80-1 1 0 0 Acetic acid, 2-furanyl-

OCH2-COOH

IV.A-3, X-2

67. 112-06-1 0 1 0 Acetic acid, heptyl ester H3C-COO-(CH2)6-CH3 V-3

68. 629-70-9 0 1 0 Acetic acid, 1-hexadecyl ester H3C-COO-(CH2)15-CH3 V-3

69. 142-92-7 0 1 0 Acetic acid, hexyl ester {hexyl acetate} H3C-COO-(CH2)5-CH3 V-3

70. 79-14-1 1 1 1 Acetic acid, hydroxy- {glycolic acid} HOCH2-COOH II.A-5, IV.A-3

71. 623-50-7 1 0 0 Acetic acid, hydroxy-, ethyl ester HOCH2-COO-C2H5 II.A-5, V-3

72. 61892-60-2 1 1 1 Acetic acid, hydroxy-, 2-hydroxypropyl ester HOCH2-COO-CH2-CHOH-CH3 II.A-5, V-3

73. 96-35-5 1 0 0 Acetic acid, hydroxy-, methyl ester HOCH2-COO-CH3 II.A-5, V-3

74. 90357-58-7 1 1 1 Acetic acid, hydroxy-, propyl ester HOCH2-COO-C3H7 II.A-5, V-3

75. 1 0 0 Acetic acid, hydroxymethyl ester H3C-COO-CH2OH II.A-5, V-3

76. 627-69-0 1 0 0 Acetic acid, 2-hydroxypropyl ester H3C-COO-CH2-CHOH-CH3 II.A-5, V-3

77. 625-45-6 0 1 0 Acetic acid, methoxy- H3CO-CH2-COOH IV.A-3, X-2

78. 79-20-9 1 1 1 Acetic acid, methyl ester H3C-COO-CH3 V-3

79. 0 1 0 Acetic acid, 2-methylbutyl ester H3C-COO-CH2-CH(CH3)-CH2-CH3 V-3

80. 123-92-2 0 1 0 Acetic acid, 3-methylbutyl ester H3C-COO-(CH2)2-CH=(CH3)2 V-3

81. 1191-16-8 0 1 0 Acetic acid, 3-methyl-2-butenyl ester H3C-COO-CH2-CH=C=(CH3)2 V-3

82. 108-21-4 1 1 1 Acetic acid, 1-methylethyl ester H3C-COO-CH=(CH3)2 V-3

83. 72360-04-4 1 0 0 Acetic acid, 2-(5-methylfuranyl)-

H3C CH2-COOHO

IV.A-3, X-2

84. 35897-16-6 0 1 0 Acetic acid, 2-methyl-3-pentyl ester H3C-COO-CH(C2H5)-CH=(CH3)2 V-3

85. 110-19-0 0 1 0 Acetic acid, 2-methylpropyl ester {isobutyl acetate} H3C-COO-CH2-CH=(CH3)2 V-3

86. 298-12-4 1 1 1 Acetic acid, oxo- {glyoxylic acid} O=CH-COOH IV.A-3

7


CAS No.

S

T

S

T


Selected structures

Chapter

Table

87. 1 0 0 Acetic acid, 2-oxopropyl ester H3C-COO-CH2-CO-CH3 III-13, V-3

88. 628-63-7 0 1 0 Acetic acid, pentyl ester H3C-COO-(CH2)4-CH3 V-3

89. 24851-98-7 0 1 0 Acetic acid, 2-pentyl-3-oxo-1-cyclopentyl-, methyl ester {methyl dihydrojasmonate}

V-3

90. 103-45-7 1 1 1 Acetic acid, 2-phenylethyl ester

{2-phenethyl acetate}

H3C-COO-(CH2)2-C6H5 V-3

91. 140-11-4 1 1 1 Acetic acid, phenylmethyl ester {benzyl acetate} H3C-COO-CH2-C6H5 V-3

92. 122-72-5 0 1 0 Acetic acid, phenylpropyl ester H3C-COO-(CH2)3-C6H5 V-3

93. 13147-57-4 0 1 0 Acetic acid, (phosphonoxy)- IV.A-3

94. 127-08-2 0 1 0 Acetic acid, potassium salt H3C-COO-K XX-6

95. 109-60-4 0 1 0 Acetic acid, propyl ester {propyl acetate} H3C-COO-(CH2)2-CH3 V-3

96. 127-09-3 0 1 0 Acetic acid, sodium salt H3C-COO-Na XX-6

97. 93-76-5 0 1 0 Acetic acid, 2,4,5-trichlorophenoxy- {2,4,5-T®}

O-CH2COOH

Cl

Cl

Cl

IV.A-3, X-2, XXI-3

98. 76-49-3 0 1 0 Acetic acid, endo-1,7,7-trimethylbicyclo[2,2,1]heptan-2-yl ester

{bornyl acetate}

V-3

99. 75-05-8 1 0 0 Acetonitrile H3C-CN XI-2

100. 926-64-7 1 0 0 Acetonitrile, (dimethylamino)- (H3C)2=N-CH2-CN XI-2

101. 107-16-4 1 0 0 Acetonitrile, hydroxy- HOCH2-CN II.A-5, XI-2

102. 4471-47-0 1 0 0 Acetonitrile, oxo- O=CH-CN III-12. XI-2

103. 0 1 0 Acetylserine sulfhydrylase XXII-2

104. 9040-07-7 0 1 0 Acetyltransferase, chloramphenicol XXII-2

105. 260-94-6 1 0 0 Acridine {benzo[b]quinoline}

N

XVII.E-6

106. 92-81-9 1 0 0 Acridine, 9,10-dihydro- {acridan}

NH

XVII.E-6

107. 6267-02-3 1 0 0 Acridine, 9,10-dihydro-9,9-dimethyl- {9,9-dimethylacridan}

XVII.E-6

108. 26914-16-9 1 0 0 Acridine, 9,10-dihydro-9,9-dimethyl-(1-methylethyl)- XVII.E-6

109. 63451-42-3 1 0 0 Acridine, 9,10-dihydro-9,9-dimethyl-2-(1-methylethyl)-

XVII.E-6

110. 64828-44-0 1 0 0 Acridine, ethyl- XVII.E-6

111. 54116-90-4 1 0 0 Acridine, methyl- XVII.E-6

112. 64828-45-1 1 0 0 Acridine, propyl- XVII.E-6

113. 7440-34-8 1 1 1 Actinium Ac XX-5

114. 20379-10-6, 0 1 0 Actinium, isotope of mass 226 226

Ac XX-5

115. 14331-83-0 0 1 0 Actinium, isotope of mass 228 228

Ac XX-5

116. 50-76-0 0 1 0 Actinomycin D XXI-3

117. 1 0 0 Acyl radical, methyl- COCH3 XXVII-1

118. 1 0 0 Acyl radical, ethyl- COCH2CH3 XXVII-1

8


CAS No.

S

T

S

T


Selected structures

Chapter

Table

119. 1 0 0 Acyl radical, propyl- {2 isomers} COCH2CH2CH3 XXVII-1

120. 1 0 0 Acyl radical, butyl- {3 isomers} COCH2CH2CH2CH3 XXVII-1

121. 141733-40-6 0 1 0 Acyltransferase, glycerol phosphate (Arabidopsis thaliana clone BX3.6/BB2.6 reduced)

XXII-2

122. 58-61-7 0 1 0 Adenosine NH2

HOCH2

OH

OH

N

N

O

N

N

II.A-5, VIII-3, XVII.E-6

123. 60-92-4 0 1 0 Adenosine, cyclic 3',5'-(hydrogen phosphate) II.A-5

124. 139636-55-8 0 1 0 Adenosine, 2'-deoxyadenylyl-(3'→5')-thymidylyl-

(3'→5')-2'-deoxyguanylyl-(3'→5')-2'-deoxyguanylyl-

(3'→5')-thymidylyl-(3'→5')-2'-deoxyguanylyl-

(3'→5')-thymidylyl-(3'→5')-thymidylyl-(3'→5')-

thymidylyl-(3'→5')-thymidylyl-(3'→5')-thymidylyl-

(3'→5')-2'-deoxyguanylyl-(3'→5')-2'-deoxyadenylyl-

(3'→5')-thymidylyl-(3'→5')-2'-deoxycytidylyl-

(3'→5')-thymidylyl-(3'→5')-2'-deoxyguanylyl-

(3'→5')-2'-deoxy-

XXII-2

125. 146689-29-4 0 1 0 Adenosine, 2'-deoxycytidylyl-(5'→3')-2'-

deoxycytidylyl-(5'→3')-2'-deoxyguanylyl-(5'→3')-2'-

deoxycytidylyl-(5'→3')-2'-deoxycytidylyl-(5'→3')-2'-

deoxyguanylyl-(5'→3')-2'-deoxy-

XXII-2

126. 28542-78-1 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)- II.A-5, VIII-3, XVII.E-6

127. 6025-53-2 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (E)- II.A-5, VIII-3, XVII.E-6

128. 15896-46-5 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (Z)- II.A-5, VIII-3, XVII.E-6

129. 26190-61-4 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-


130. 53274-45-6 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-, (E)-


131. 52049-48-6 0 1 0 Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2-(methylthio)-, (Z)-


132. 22663-55-4 0 1 0 Adenosine, N-(4-hydroxy-3-methylbutyl)- II.A-5, VIII-3, XVII.E-6

133. 7724-76-7 0 1 0 Adenosine, N-(3-methyl-2-butenyl)- II.A-5, VIII-3, XVII.E-6

134. 75081-82-2 0 1 0 Adenosine, N-[3-methyl-4-[(O-phosphono-β-D-glucopyranosyl)oxy]-2-butenyl]-, (E)-


135. 4294-16-0 0 1 0 Adenosine, N-(phenylmethyl)- II.A-5, VIII-3, XVII.E-6

136. 56-65-5 0 1 0 Adenosine 5'-(tetrahydrogen triphosphate) II.A-5, VIII-3, XVII.E-6

137. 40922-97-2 0 1 0 Adenosine 5'-(tetrahydrogen triphosphate), N-(phenylmethyl)-

II.A-5

138. 58-64-0 0 1 0 Adenosine 5'-(trihydrogen diphosphate) II.A-5

139. 53-57-6 0 1 0 Adenosine 5'-(trihydrogen diphosphate), 2'-

(dihydrogen phosphate), P'→5'-ester with 1,4-

dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide


9


CAS No.

S

T

S

T


Selected structures

Chapter

Table

140. 53-59-8 0 1 0 Adenosine 5'-(trihydrogen diphosphate), 2'-

(dihydrogen phosphate), P'→5'-ester with 3-

(aminocarbonyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt

II.A-5, X-2, XII-2, XVII.B-2

141. 7298-93-3 0 1 0 Adenosine 5'-(trihydrogen diphosphate), 5'→5'-ester

with 3-(aminocarbonyl)-1-α-D- ribofuranosylpyridinium hydroxide, inner salt


142. 55030-93-8 0 1 0 Adenosine 5'-(trihydrogen diphosphate), N-(3-methyl-2-butenyl)-

II.A-5, V-3

143. 22732-83-8 0 1 0 Adenosine 5'-(trihydrogen pyrophosphate), mono-D-glucopyranosyl ester


144. 40811-89-0 0 1 0 Adenosine 5'-(trihydrogen diphosphate), N-(phenylmethyl)-


145. 58-68-4 0 1 0 Adenosine 5'-(trihydrogen diphosphate), P'→5'-

ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide


146. 53-84-9 0 1 0 Adenosine 5'-(trihydrogen diphosphate), P'→5'-

ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt


147. 9012-52-6 0 1 0 Adenosyltransferase, methionine XXII-2

148. 84-21-9 0 1 0 3'-Adenylic acid II.A-5, X-2, XII-2

149. 61-19-8 0 1 0 5'-Adenylic acid H2N

N

N

N N

OH

O

OH

CH2O--POH

OH

O

II.A-5, X-2,

XII-2

150. 20268-93-3 0 1 0 5'-Adenylic acid, N-(3-methyl-2-butenyl)- II.A-5, X-2, XII-2

151. 13484-66-7 0 1 0 5'-Adenylic acid, N-(phenylmethyl)- II.A-5, X-2, XII-2

152. 9012-39-9 0 1 0 Adenylyltransferase, sulfate XXII-2

153. 6898-94-8 1 1 1 Alanine IV.A-3, IV.B-7

154. 62-57-7 0 1 0 Alanine, 2-methyl- (CH3)2=C(NH2) COOH IV.A-3, IV.B-7

155. 13100-82-8 0 1 0 Alanine, 3-sulfo- HO-SO2-CH2-C(NH2) COOH IV.A-3, IV.B-7

156. 107-95-9 0 1 0 β-Alanine H2N-(CH2)2-COOH IV.A-3, IV.B-7

157. 79-83-4 0 1 0 β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-

IV.A-3, IV.B-7

158. 10478-42-9 1 1 1 β-Alanine, N-methyl-N-nitroso- = Propanoic acid, 3-(methylnitrosamino)- {NMPA}

H3C-N(NO)-(CH2)2-COOH IV.A-3, IV.B-7, XV-8

159. 133201-38-4 1 0 0 β-Alanine, N-(nitrosomethyl)- IV.A-3, IV.B-7, XV-8

160. 1 0 0 β-Alanine, N-methyl-N-nitroso-, methyl ester H3C-N(NO)-(CH2)2-COOCH3

IV.A-3, IV.B-7, XV-8

161. 923-16-0 0 1 0 D-Alanine, N-D-alanyl- H2N-(CH2)2-CO-NH-(CH2)2-COOH IV.A-3, IV.B-7

162. 56-41-7 1 1 1 L-α-Alanine H3C-CH(NH2)-COOH IV.A-3, IV.B-7

10


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Chapter

Table

163. 52756-25-9 0 1 0 DL-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, methyl ester {Flamprop-methyl®}

F

Cl

N

O

C6H5

CH-CH3

H3C-OOC

XXI-3

164. 16124-24-6 0 1 0 L-Alanine, N-(1-deoxy-D-fructos-1-yl)- II.A-5, IV.A-3

165. 82560-54-1 0 1 0 β-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-, ethyl ester {Benfuracarb®}

OOC-R

O

X-2, XVIII.B-3, XXI-3

R = -NH-S-N[CH(CH3)2]-(CH2)2-COOC2H5

166. 57646-30-7 0 1 0 DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl-, methyl ester {Furalaxyl®}

O

NO

O

O

X-2, XXI-3

167. 57837-19-1 0 1 0 DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester {Ridomil®} CH3

O

O

N

O

CH3

CH3

OCH3

H3C

X-2, XXI-3

168. 71626-11-4 0 1 0 DL-Alanine, N-(2,6-dimethylphenyl)-N-(phenylacetyl)-, methyl ester {Benalaxyl®} O

NO

O

XXI-3

169. 9006-50-2 0 1 0 Albumin XXII-2

170. 9048-46-8 0 1 0 Albumins, blood serum XXII-2

171. 9024-52-6 0 1 0 Aldolase, fructose diphosphate XXII-2

172. 9026-94-2 0 1 0 Aldolase, phospho-2-keto-3-deoxyheptonate XXII-2

173. 145137-43-5 0 1 0 Aldolase, phospho-2-keto-3-deoxyheptonate (tobacco clone NtDAHPS-1 precursor reduced)

XXII-2

174. 1 0 0 Alkylaminocarbonyl radical, methyl- CONHCH3 XXVII-1

175. 1 0 0 Alkylaminocarbonyl radical, ethyl- CONHCH2CH3 XXVII-1

176. 1 0 0 Alkylaminocarbonyl radical, propyl- {2 isomers} CONHCH2CH2CH3 XXVII-1

177. 1 0 0 Alkylaminocarbonyl radical, butyl- {2 isomers} CONHCH2CH2CH2CH3 XXVII-1

178. 1 0 0 Alkylaminocarbonyl radical, pentyl- {3 isomers} CONHCH2CH2CH2CH2CH3 XXVII-1

179. 1 0 0 Alkylaminocarbonyl radical (unsaturated) C5H8NO XXVII-1

180. 1 0 0 Alkylaminocarbonyl radical (unsaturated) C7H12NO XXVII-1

181. 2595-97-3 0 1 0 D-Allose O OH

OHOH

HO

HO

II.A-5, VIII-3

182. 7429-90-5 1 1 1 Aluminum Al XX-5

183. 1344-28-1 0 1 0 Aluminum oxide Al2O3 XX-6

184. 9031-85-0 0 1 0 Aminoacyltransferase XXII-2

185. 9031-94-1 0 1 0 Aminopeptidase XXII-2

11


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Chapter

Table

186. 9001-61-0 0 1 0 Aminopeptidase, cytosol XXII-2

187. 0 1 0 Aminopeptidase, leucine XXII-2

188. 37277-82-0 0 1 0 Aminopropyltransferase, putrescine XXII-2

189. 9031-66-7 0 1 0 Aminotransferase XXII-2

190. 9000-86-6 0 1 0 Aminotransferase, alanine XXII-2

191. 9000-97-9 0 1 0 Aminotransferase, aspartate XXII-2

192. 50812-10-7 0 1 0 Aminotransferase, glutamate-glyoxylate XXII-2

193. 9030-42-6 0 1 0 Aminotransferase, ornithine-keto acid XXII-2

194. 37259-57-7 0 1 0 Aminotransferase, serine-glyoxylate XXII-2

195. 7664-41-7 1 1 1 Ammonia NH3 XII-2

196. 9024-28-6 0 1 0 Ammonia-lyase, phenylalanine XXII-2

197. 14798-03-9 1 1 1 Ammonium NH4+1

XX-6

198. 53516-76-0 0 1 0 Ammonium chloride, alkyldimethylbenzyl- {Benazlkonium chloride®}

XVIII.B-3, XX1-3

199. 1336-21-6 0 1 0 Ammonium hydroxide NH4OH XX-6

200. 12135-76-1 0 1 0 Ammonium sulfide (NH4)2S XVIII.A-1, XX-6

201. 9000-92-4 0 1 0 Amylase XXII-2

202. 9000-90-2 0 1 0 Amylase, α- XXII-2

203. 9000-91-3 0 1 0 Amylase, β- XXII-2

204. 9067-73-6 0 1 0 Amylase, iso- XXII-2

205. 9005-84-9 0 1 0 Amylodextrin VIII-3

206. 9037-22-3 0 1 0 Amylopectin VIII-3

207. 9005-82-7 0 1 0 Amylose VIII-3

208. 32222-21-2 0 1 0 Androsta-3,5-dien-7-one

O

III-13

209. 0 1 0 Anhydrase, carbonate XXII-2

210. 189-58-2 1 0 0 Anthra[9,1,2-cde]benzo[h]cinnoline

XVII.E-6

211. 610-49-1 1 0 0 1-Anthracenamine NH2

1 2

3

45

6

7

8 9

10

XII-2

212. 779-03-3 1 0 0 9-Anthracenamine XII-2

213. 120-12-7 1 1 1 Anthracene 1

2

3

45

6

7

8 9

10

I.E-6

214. 1 0 0 Anthracene, alkyl- I.E-6

215. 613-31-0 1 0 0 Anthracene, 9,10-dihydro- I.E-6

216. 29063-00-1 1 0 0 Anthracene, dimethyl- I.E-6

12


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Chapter

Table

217. 781-43-1 1 0 0 Anthracene, 9,10-dimethyl- I.E-6

218. 41637-86-9 1 0 0 Anthracene, ethyl- I.E-6

219. 605-83-4 1 0 0 Anthracene, 9-ethyl- I.E-6

220. 71265-29-7 1 0 0 Anthracene, ethylmethyl- I.E-6

221. 26914-18-1 1 0 0 Anthracene, methyl- I.E-6

222. 610-48-0 1 0 0 Anthracene, 1-methyl- I.E-6



225. 71265-30-0 1 0 0 Anthracene, propyl- I.E-6

226. 27358-28-7 1 0 0 Anthracene, trimethyl- I.E-6

227. 0 1 0 1,4-Anthracenedione, 2,3-dimethyl- 0

0

CH3

CH3

IX.B-2

228. 84-65-1 1 1 1 9,10-Anthracenedione {9,10-anthraquinone} O

O

1

2

2

4

IX.B-2, XXI-3

229. 20724-30-5 1 0 0 9,10-Anthracenedione, 1,2-diethyl- IX.B-2

230. 71265-31-1 1 0 0 9,10-Anthracenedione, dimethyl- IX.B-2

231. 1 0 0 9,10-Anthracenedione, 2,3-dimethyl- IX.B-2

232. 27936-34-1 1 0 0 9,10-Anthracenedione, methyl- IX.B-2

233. 84-54-8 1 1 1 9,10-Anthracenedione, 2-methyl- IX.B-2

234. 1 0 0 9,10-Anthracenedione, trimethyl- IX.B-2

235. 90-44-8 1 0 0 9(10H)-Anthracenone {anthrone}

2

3

45

6

7

8

10

1

9

O

III-13

236. 7440-36-0 1 1 1 Antimony Sb XX-5

237. 14683-10-4 1 1 1 Antimony, isotope of mass 124 124

Sb XX-5

238. 14331-88-5 0 1 0 Antimony, isotope of mass 129 129

Sb XX-5

239. 9000-95-7 0 1 0 Apyrase XXII-2

240. 11078-27-6 0 1 0 Arabinan II.A-5, VIII-3

241. 20261-96-5 1 1 1 Arabinohexonic acid, 3-deoxy-, γ-lactone II.A-5, VI-3, VIII-3

242. 42400-32-8 0 1 0 D-Arabinohexonic acid, 2-deoxy-, γ-lactone II.A-5, VI-3, VIII-3

243. 23675-06-1 0 1 0 α-D-Arabinohexopyranoside, 2-deoxy-α-D-arabino-hexopyranosyl 2-deoxy-

II.A-5, VIII-3

244. 154-17-6 0 1 0 D-Arabinohexose, 2-deoxy- II.A-5, VIII-3, X-2

245. 16449-30-2 0 1 0 D-Arabinohexose, 2-deoxy-4-O-β-D-glucopyranosyl- II.A-5, VIII-3

246. 13752-83-5 0 1 0 Arabinonic acid HO-CH2-(CHOH)3-COOH II.A-5, IV.A-3

13


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Table

247. 13280-76-7 1 0 0 Arabinonic acid, γ-lactone HO OH

OO

HOCH2

II.A-5, VI-3

248. 147-81-9 1 1 1 Arabinose HO-CH2-(CHOH)3-CH=O II.A-5, III-12

249. 0 1 0 Arabitinol , 2,3-di-O-methyl- HO-CH2-CHOH-(CHOCH3)2-CH=O

II.A-5, III-12, X-2

250. 0 1 0 Arabitinol , 2,5-di-O-methyl- H3CO-CH2-(CHOH)2-(CHOCH3)-CH=O

II.A-5, III-12, X-2

251. 0 1 0 Arabitinol , 3,5-di-O-methyl- H3CO-CH2-CHOH-(CHOCH3)-CHOH-CH=O

II.A-5, III-12, X-2

252. 0 1 0 Arabitinol , 2,3,4-tri-O-methyl- HO-CH2-(CHOCH3)3-CH=O

II.A-5, III-12, X-2

253. 0 1 0 Arabitinol , 2,3,5-tri-O-methyl- H3CO-CH2-CHOH-(CHOCH3)2-CH=O

II.A-5, III-12, X-2

254. 9040-27-1 0 1 0 Arabinoxylan VIII-3

255. 7004-12-8 0 1 0 Arginine H2N-C(=NH)-NH-(CH2)3-CH(NH2)-COOH

IV.A-3, IV.B-7

256. 1069-09-6

34522-32-2

0 1 0 Arginine, N2-(1-carboxyethyl)- IV.A-3, IV.B-7

257. 74-79-3 0 1 0 L-Arginine H2N-C(=NH)-NH-(CH2)3-CH(NH2)-COOH

IV.A-3, IV.B-7

258. 7440-37-1 1 0 0 Argon A XX-5

259. 7440-38-2 1 1 1 Arsenic As XX-5, XXI-3

260. 15575-20-9 0 1 0 Arsenic, isotope of mass 76 76

As XX-5

261. 7778-44-1 0 1 0 Arsenic acid, calcium salt Ca3(AsO4)2 XX-6, XXI-3

262. 7645-25-2 0 1 0 Arsenic acid, lead salt Pb3(AsO4)2 XX-6, XXI-3

263. 7784-40-9 0 1 0 Arsenic acid, lead salt PbHAsO4 XX-6, XXI-3

264. 1327-53-3 0 1 0 Arsenic oxide {arsenious oxide} As2O3 XX-6

265. 7784-42-1 1 0 0 Arsine H3As XX-6

266. 603-32-7 1 0 0 Arsine, triphenyl- As(C6H5)3 XX-6

267. 50-81-7 1 1 1 L-Ascorbic acid {L-gulofuranolactone, 3-oxo-}

O O

OHHO

CH2OH

II.A-5, VI-3

268. 7006-34-0 1 1 1 Asparagine H2N-CO-CH2-CH(NH2)-COOH

IV.A-3, IV.B-7

269. 70-47-3 0 1 0 L-Asparagine IV.A-3, IV.B-7

270. 5794-13-8 0 1 0 L-Asparagine monohydrate IV.A-3, IV.B-7

271. 6899-03-2 1 1 1 Aspartic acid IV.A-3, IV.B-7

272. 56-84-8 1 1 1 L-Aspartic acid HOOC-CH2-CH(NH2)-COOH

IV.A-3, IV.B-7

273. 2456-73-7 0 1 0 L-Aspartic acid, N-(1H-indol-3-ylacetyl)- IV.A-3, IV.B-7

14


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274. 1 0 0 Azaindene N

XVII.E-6

275. 271-63-6 1 0 0 7-Azaindole N NH

1

2

34

5

6 7

XVII.E-6

276. 1 0 0 7-Azaindole, N-methyl- XVII.E-6

277. 0 1 0 Azathymine

O O

NNH

NH

XIV-1, XVII.B-2

278. 503-29-7 1 1 1 Azetidine NH

XVII.A-1

279. 34441-14-0 0 1 0 1-Azetidinebutanoic acid, α-[(3-amino-3-carboxypropyl)amino]-2-carboxy-, [2S-

[1[αR*(R*)],2R*]]- {nicotianamine}

IV.A-3

280. 2517-04-6 0 1 0 2-Azetidinecarboxylic acid IV.A-3

281. 55556-98-4 0 1 0 2-Azetidinecarboxylic acid, 1-nitroso- COOH

N

ON

IV.A-3, XV-8

282. 275-51-4 1 0 0 Azulene {cyclopentacycloheptene}

I.E-6

283. 1 0 0 Azulene, 1,4-dimethyl-7-ethyl- I.E-6

284. 68038-71-1 0 1 0 Bacillus thuringiensis {Dipel®} XXI-3

285. 7440-39-3 1 1 1 Barium Ba XX-5

286. 203-33-8 1 0 0 Benz[a]aceanthrylene {benzo[a]fluoranthene}

I.E-6

287. 202-33-5 1 0 0 Benz[j]aceanthrylene {cholanthrylene}

12

ab

c

d

e f g h i j

I.E-6

288. 479-23-2 1 0 0 Benz[j]aceanthrylene, 1,2-dihydro- {cholanthrene}

12

ab

c

d

e f g h i j

I.E-6

289. 56-49-5 1 0 0 Benz[j]aceanthrylene, 1,2-dihydro-3-methyl- {3-methylcholanthrene}

12

ab

c

d

e f g h i j

H3C

I.E-6

15


CAS No.

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Selected structures

Chapter

Table

290. 76774-50-0 1 0 0 Benz[fg]acenaphthylene

I.E-6

291. 205-99-2 1 1 1 Benz[e]acephenanthrylene {benzo[b]fluoranthene}

I.E-6

292. 41637-94-9 1 0 0 Benz[e]acephenanthrylene, methyl- I.E-6

293. 149021-93-2 1 0 0 Benz[e]acephenanthrylene, 10-methyl- I.E-6

294. 225-11-6 1 0 0 Benz[a]acridine

XVII.E-6

295. 1 0 0 Benz[a]acridine, 8,10-dimethyl- XVII.E-6

296. 225-51-4 1 0 0 Benz[c]acridine

N

1

2

3

4

5

678

9

10

11

XVII.E-6

297. 10567-95-0 1 0 0 Benz[c]acridine, 5,7-dimethyl- XVII.E-6





302. 3340-94-1 1 0 0 Benz[c]acridine, 7-methyl- XVII.E-6





307. 58430-01-6 1 0 0 Benz[c]acridine, 7,9,10-trimethyl- XVII.E-6

308. 51787-42-9 1 0 0 Benz[c]acridine, 7,9,11-trimethyl- XVII.E-6

309. 100-52-7 1 1 1 Benzaldehyde CH=O

2

3

4

5

6

III-12

310. 1620-98-0 0 1 0 Benzaldehyde, 3,5-di(1,1-dimethylethyl)-4-hydroxy- III-12

311. 33774-71-9 1 1 1 Benzaldehyde, dihydroxy- III-12, IX-22

312. 24677-78-9 1 1 1 Benzaldehyde, 2,3-dihydroxy- III-12, IX-22



315. 139-85-5 1 1 1 Benzaldehyde, 3,4-dihydroxy-

{protocatechualdehyde}

III-12, IX-22

316. 613-45-6 0 1 0 Benzaldehyde, 2,4-dimethoxy- III-12, X-2

317. 4925-88-6 1 0 0 Benzaldehyde, 2,5-dimethoxy-4-methyl- III-12, X-2

16


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Selected structures

Chapter

Table

318. 3392-97-0 1 1 1 Benzaldehyde, 2,6-dimethoxy- III-12, X-2

319. 120-14-9 1 1 1 Benzaldehyde, 3,4-dimethoxy- {veratraldehyde} III-12, X-2

320. 134-96-3 1 1 1 Benzaldehyde, 3,5-dimethoxy-4-hydroxy- {syringaldehyde}

III-12, IX-22, X-2

321. 15764-16-6 1 0 0 Benzaldehyde, 2,4-dimethyl- III-12

322. 5779-94-2 1 0 0 Benzaldehyde, 2,5-dimethyl- III-12

323. 100-10-7 1 0 0 Benzaldehyde, 4-(dimethylamino)- III-12, XII-2

324. 121-32-4 1 1 1 Benzaldehyde, 3-ethoxy-4-hydroxy- {ethylvanillin} III-12, IX-22, X-2

325. 53951-50-1 0 1 0 Benzaldehyde, ethyl- III-12

326. 4748-78-1 0 1 0 Benzaldehyde, 4-ethyl- III-12

327. 90-02-8 1 1 1 Benzaldehyde, 2-hydroxy- {salicylaldehyde} III-12, IX-22

328. 148-53-8 0 1 0 Benzaldehyde, 2-hydroxy-3-methoxy- III-12, IX-22

329. 100-83-4 0 1 0 Benzaldehyde, 3-hydroxy- III-12, IX-22

330. 123-08-0 1 1 1 Benzaldehyde, 4-hydroxy- III-12, IX-22

331. 106799-60-4 0 1 0 Benzaldehyde, hydroxymethoxy- III-12, IX-22, X-2

332. 121-33-5 1 1 1 Benzaldehyde, 4-hydroxy-3-methoxy- {vanillin} III-12, IX-22, X-2

333. 1 1 1 Benzaldehyde, 4-hydroxy-3-methoxy-, labeled with 14

C {vanillin-14

C} III-12, IX-22, X-2, XXV-29

334. 1 0 0 Benzaldehyde, hydroxy-methyl- III-12, IX-22

335. 97122-27-5 1 0 0 Benzaldehyde, hydroxy-3-methyl- III-12, IX-22

336. 57295-30-4 1 0 0 Benzaldehyde, 3-hydroxy-4-methyl- III-12, IX-22

337. 15174-69-3 1 0 0 Benzaldehyde, 4-hydroxy-3-methyl- III-12, IX-22

338. 1 0 0 Benzaldehyde, methoxy- III-12

339. 123-11-5 1 1 1 Benzaldehyde, 4-methoxy- {p-anisaldehyde} III-12, X-2

340. 1334-78-7 1 0 0 Benzaldehyde, methyl- III-12

341. 529-20-4 1 1 1 Benzaldehyde, 2-methyl- {o-tolualdehyde} III-12

342. 620-23-5 1 1 1 Benzaldehyde, 3-methyl- {m-tolualdehyde} III-12

343. 104-87-0 1 1 1 Benzaldehyde, 4-methyl- {p-tolualdehyde} III-12

344. 122-03-2 1 1 1 Benzaldehyde, 4-(1-methylethyl)- {cuminaldehyde} III-12

345. 29344-95-4 0 1 0 Benzaldehyde, 2,3,4,5-tetramethyl- III-12

346. 55-21-0 1 1 1 Benzamide C6H5-CO-NH2 XIII-1

347. 15310-01-7 0 1 0 Benzamide, 2-iodo-N-phenyl- {Benodanil®}

CO-NH-C6H5

I

XIII-1, XXI-3

348. 1 0 0 Benzanthracene I.E-6

349. 63194-18-3 1 0 0 Benzanthracene, methyl- I.E-6

350. 56-55-3 1 1 1 Benz[a]anthracene {BaA or B[a]A} 1

2

3

4

5

678

9

10

11 12

I.E-6

351. 1 0 0 Benz[a]anthracene, alkyl- I.E-6

352. 43178-07-0 1 0 0 Benz[a]anthracene, dimethyl- I.E-6

17


CAS No.

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Selected structures

Chapter

Table

353. 57-97-6 1 0 0 Benz[a]anthracene, 7,12-dimethyl- {DMBA} I.E-6

354. 0 0 0 Benz[a]anthracene, 9,10-dimethyl-

There can be no such compound as 7,12-dimethyl-1,2-benzanthracene because, according to the now obsolete nomenclature shown, there was never a 12 position in the 1,2-benzanthracene molecule. Also shown is 7,12-dimethylbenz[a]anthracene named according to the current nomenclature.

12

3

45

6

7

8

1'

2'

3'

4'9

10

CH3

CH3

1

2

3

4

5

68

9

10

11

12

7

CH3

CH3

a

b

c

I.E-6

355. 31632-62-9 1 0 0 Benz[a]anthracene, ethyl- I.E-6

356. 71265-32-2 1 0 0 Benz[a]anthracene, ethylmethyl- I.E-6

357. 43178-22-9 1 0 0 Benz[a]anthracene, methyl- I.E-6

358. 2498-77-3 1 0 0 Benz[a]anthracene, 1-methyl- I.E-6










368. 1 0 0 Benz[a]anthracene, methylene- I.E-6

369. 71265-33-3 1 0 0 Benz[a]anthracene, propyl- I.E-6

370. 1 0 0 Benz[a]anthracene, tetramethyl- I.E-6

371. 60826-78-0 1 0 0 Benz[a]anthracene, trimethyl- I.E-6

372. 199-94-0 1 0 0 7H-Benz[de]anthracene 1

2

3

4

5

67

a

b

cde

I.E-6

373. 1 0 0 Benz[a]anthrone O

III-13

374. 62-53-3 1 1 1 Benzenamine {aniline} NH2

2

3

4

5

6

XII-2

375. 106-40-1 1 0 0 Benzenamine, 4-bromo- XII-2, XVIII.B-3

376. 1861-40-1 0 1 0 Benzenamine, N-butyl-2,6-dinitro-N-ethyl-4-(trifluoromethyl)- {Benefin®; Benfluralin®}

NO2

F3C N

NO2

CH2-CH3

(CH2)3-CH3

XII-2, XXI-3

377. 95-51-2 1 0 0 Benzenamine, 2-chloro- {2-chloroaniline}

XII-2, XVIII.B-3,

XXI-3

18


CAS No.

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Selected structures

Chapter

Table

378. 106-47-8 1 0 0 Benzenamine, 4-chloro- XII-2, XVIII.B-3

379. 46175-80-8 0 1 0 Benzenamine, 2-(cyclohexen-1-yl)- XII-2

380. 95-76-1 0 1 0 Benzenamine, 3,4-dichloro- XII-2, XVIII.B-3

381. 99-30-9 0 1 0 Benzenamine, 2,6-dichloro-4-nitro- {Dicloran®) XII-2, XVIII.B-3, XXI-3

382. 87-59-2 1 1 1 Benzenamine, 2,3-dimethyl- {2,3-xylidine} XII-2





387. 40487-42-1 0 1 0 Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)- {Pendimethalin®} O2N NO2

N-CH(C2H5)2H

XII-2, XXI-3


389. 611-21-2 1 0 0 Benzenamine, N,2-dimethyl- XII-2

390. 623-08-5 1 0 0 Benzenamine, N,4-dimethyl- XII-2

391. 121-69-7 1 0 0 Benzenamine, N,N-dimethyl- XII-2

392. 33629-47-9 0 1 0 Benzenamine, 4-(1,1-dimethylethyl)-2,6-dinitro-N-(1-methylpropyl)- {Butralin®}

NO2

NO2

NH-CH(CH3)-CH2CH3(H3C)3C

XII-2, XXI-3

393. 33820-53-0 0 1 0 Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(1-methylethyl)- {Isopropalin®}

NO2

NO2

(CH2)2CH3

(CH2)2CH3

N

H3C

H3C

XII-2, XXI-3

394. 1582-09-8 0 1 0 Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)- {Trifluralin®}

NO2

N

NO2

F3C

(CH2)2-CH3

(CH2)2-CH3

XII-2, XXI-3

395. 0 1 0 Benzenamine, 4-ethenyl- XII-2

396. 578-54-1 1 1 1 Benzenamine, 2-ethyl- XII-2



399. 103-69-5 1 0 0 Benzenamine, N-ethyl- {N-ethylaniline} C6H5-NH-CH2-CH3 XII-2

400. 1821-38-1 1 1 1 Benzenamine, 2-ethyl-N-methyl- XII-2



403. 94-68-8 1 0 0 Benzenamine, N-ethyl-2-methyl- XII-2

404. 102-27-2 0 1 0 Benzenamine, N-ethyl-3-methyl- XII-2

405. 71265-27-5 1 0 0 Benzenamine, ar-ethyl-ar-methyl- XII-2

406. 90-04-0 1 1 1 Benzenamine, 2-methoxy- {o-anisidine} X-2, XII-2

407. 536-90-3 1 1 1 Benzenamine, 3-methoxy- {m-anisidine} X-2, XII-2

408. 104-94-9 1 0 0 Benzenamine, 4-methoxy- {p-anisidine} X-2, XII-2

19


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Selected structures

Chapter

Table

409. 26915-12-8 1 0 0 Benzenamine, ar-methyl- XII-2

410. 95-53-4 1 1 1 Benzenamine, 2-methyl- {o-toluidine; 2-toluidine} XII-2

411. 108-44-1 1 0 0 Benzenamine, 3-methyl- {m-toluidine 3-toluidine} XII-2

412. 106-49-0 1 0 0 Benzenamine, 4-methyl- {p-toluidine; 4-toluidine} XII-2

413. 100-61-8 1 0 0 Benzenamine, N-methyl- {N-methylaniline} C6H5-NH-CH3 XII-2

414. 5266-85-3 0 1 0 Benzenamine, 2-methyl-6-(1-methylethyl)- XII-2

415. 1 1 1 Benzenamine, N-methyl-N-nitroso- XII-2, XV-8

416. 1 0 0 Benzenamine, (1-methylethyl)-N-(1-methylethylphenyl)-

XII-2

417. 5650-10-2 1 0 0 Benzenamine, 4-(1-methylethyl)-N-phenyl- XII-2

418. 552-82-9 1 0 0 Benzenamine, N-methyl-N-phenyl- XII-2

419. 1 0 0 Benzenamine, N-nitroso-N-phenyl- XII-2, XV-8

420. 122-39-4 1 0 0 Benzenamine, N-phenyl- {diphenylamine} C6H5-NH-C6H5 XII-2

421. 13066-19-8 1 0 0 Benzenamine, 2-(2-phenylethenyl)-

{2-aminostilbene}

XII-2

422. 14064-37-0 1 0 0 Benzenamine, 3-(2-phenylethenyl)-, (Z)- XII-2

423. 834-24-2 1 0 0 Benzenamine, 4-(2-phenylethenyl)- XII-2

424. 71265-28-6 1 0 0 Benzenamine, ar,ar,ar,ar-tetramethyl- XII-2

425. 31093-11-5 1 0 0 Benzenamine, ar,ar,ar-trimethyl- XII-2

426. 88-05-1 1 0 0 Benzenamine, 2,4,6-trimethyl- {mesitylamine} XII-2

427. 71-43-2 1 1 1 Benzene 1

2

3

4

5

6

I.D-1

428. 1 0 0 Benzene, C3-alkyl- I.D-1



431. 103-33-3 0 1 0 Benzene, azobis- {azobenzene} C6H5-N=N-C6H5 XVI-1

432. 886-66-8 1 0 0 Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis- C6H5-C≡C-C≡C-C6H5 I.D-1

433. 824-90-8 1 0 0 Benzene, 1-butenyl- C6H5-CH=CH-(CH2)2-CH3 I.D-1

434. 104-51-8 1 0 0 Benzene, butyl- C6H5-(CH2)3-CH3 I.D-1

435. 108-90-7 1 0 0 Benzene, chloro- C6H5-Cl XVIII.B-3, XXI-3

436. 22349-74-2 1 0 0 Benzene, 1-chloro-4-(2-chloro-1-phenylethenyl)- XVIII.B-3

437. 103-17-3 0 1 0 Benzene, 1-chloro-4-((4-chlorophenyl)methyl)thio)- {Chlorobenside®} S Cl

Cl

XVIII.B-3

XXI-3

438. 3424-82-6 1 0 0 Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-

XVIII.B-3

439. 53-19-0 1 1 1 Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]- {o,p’-DDD; o.p’-TDE}

CHCl2

Cl

Cl

XVIII.B-3, XXI-3

20


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Selected structures

Chapter

Table

440. 4329-12-8 1 1 1 Benzene, 1-chloro-3-[2,2-dichloro-1-(4-chlorophenyl)ethyl]- {m,p’-DDD}

XVIII.B-3, XXI-3

441. 789-02-6 1 1 1 Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]- {o,p’-DDT}

Cl

Cl

CCl3

XVIII.B-3, XXI-3

442. 4541-89-3 1 0 0 Benzene, 1,1'-(chloroethenylidene)bis- XVIII.B-3

443. 1022-22-6 1 1 1 Benzene, 1,1'-(chloroethenylidene)bis[4-chloro- {DDM}

ClCl

Cl

XVIII.B-3, XXI-3

444. 2642-80-0

1 1 1 Benzene, 1,1'-(2-chloroethylidene)bis[4-chloro- {DDMS}

ClCl

Cl

XVIII.B-3, XXI-3

445. 622-24-2 0 1 0 Benzene, 2-chloroethyl- C6H5-(CH2)2-Cl XVIII.B-3

446. 0 1 0 Benzene, chloromethoxy- {chloroanisole} X-2, XVIII.B-3

447. 25167-67-3 1 0 0 Benzene, chloromethyl- C6H5-CH2-Cl XVIII.B-3

448. 95-50-1 1 1 1 Benzene, 1,2-dichloro- XVIII.B-3



451. 72-55-9 1 1 1 Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro- {p,p’-DDE}

Cl

CCl2

Cl

XVIII.B-3, XXI-3

452. 27013-25-8 1 0 0 Benzene, 1,1'-(2,2-dichloroethylidene)bis[chloro- XVIII.B-3, XXI-3

453. 72-54-8 1 1 1 Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro- {p,p’-DDD, p,p’-TDE}

Cl

CHCl2

Cl

XVIII.B-3

454. 25340-17-4 1 1 1 Benzene, diethyl- I.D-1

455. 105-05-5 1 0 0 Benzene, 1,4-diethyl- I.D-1

456. 25550-13-4 1 0 0 Benzene, diethylmethyl- I.D-1

457. 27598-81-8 1 0 0 Benzene, dimethoxy- X-2

458. 91-16-7 1 1 1 Benzene, 1,2-dimethoxy- {veratrole} X-2

459. 1 0 0 Benzene, 1,2-dimethoxy-4-ethenyl- X-2

460. 494-99-5 1 0 0 Benzene, 1,2-dimethoxy-4-methyl- X-2

461. 151-10-0 0 1 0 Benzene, 1,3-dimethoxy- X-2

462. 150-78-7 1 1 1 Benzene, 1,4-dimethoxy- X-2

463. 14753-08-3 0 1 0 Benzene, 1,4-dimethoxy-2-methyl-5-(1-methylethyl)- X-2

464. 1330-20-7 1 1 1 Benzene, dimethyl- {xylene} I.D-1

465. 95-47-6 1 1 1 Benzene, 1,2-dimethyl- {o-xylene} I.D-1

466. 108-38-3 1 1 1 Benzene, 1,3-dimethyl- {m-xylene} I.D-1

21


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Chapter

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467. 106-42-3 1 1 1 Benzene, 1,4-dimethyl- {p-xylene} I.D-1

468. 2039-89-6 1 0 0 Benzene, 1,4-dimethyl-2-ethenyl- I.D-1

469. 934-80-5 1 0 0 Benzene, 1,2-dimethyl-4-ethyl- I.D-1

470. 1 0 0 Benzene, 1,3-dimethyl-4-ethyl- I.D-1

471. 1758-88-9 1 0 0 Benzene, 1,4-dimethyl-2-ethyl- I.D-1

472. 3459-80-1 0 1 0 Benzene, [(1,1-dimethylethoxy)methyl]- X-2

473. 98-06-6 1 1 1 Benzene, (1,1-dimethylethyl)- C6H5-C(CH3)3 I.D-1

474. 1 0 0 Benzene, 3,5-bis(1,1-dimethylethyl)-1-methyl- I.D-1

475. 644-30-4 0 1 0 Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl- I.D-1

476. 4176-17-4 0 1 0 Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)- I.D-1

477. 99-51-4 1 0 0 Benzene, 1,2-dimethyl-4-nitro- XVI-1

478. 89-58-7 1 0 0 Benzene, 1,4-dimethyl-2-nitro- {2,5-dimethyl-1-nitrobenzene}

XVI-1

479. 89-87-2 1 0 0 Benzene, 2,4-dimethyl-1-nitro- XVI-1

480. 1007-26-7 0 1 0 Benzene, (2,2-dimethylpropyl)- C6H5-CH2-C(CH3)3 I.D-1

481. 103-29-7 1 0 0 Benzene, 1,1'-(1,2-ethanediyl)bis- {bibenzyl} C6H5-CH2-CH2-C6H5 I.D-1

482. 588-59-0 1 1 1 Benzene, 1,1'-(1,2-ethenediyl)bis- {stilbene} C6H5-CH=CH-C6H5 I.D-1

483. 645-49-8 1 0 0 Benzene, 1,1'-(1,2-ethenediyl)bis-, (Z)-

I.D-1

484. 103-30-0 1 0 0 Benzene, 1,1'-(1,2-ethenediyl)bis-, (E)-

I.D-1

485. 5121-74-4 1 1 1 Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro- {DCS = dichlorostilbene}

XVIII.B-3

486. 1657-56-3 1 1 1 Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro-, (E)- {trans-DCS}

Cl

Cl

XVIII.B-3

487. 2510-74-9 1 0 0 Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro-, (Z)- {cis-DCS}

Cl Cl

XVIII.B-3, XXI-3

488. 100-42-5 1 1 1 Benzene, ethenyl- {styrene} C6H5-CH=CH2 I.D-1

489. 6380-23-0 1 1 1 Benzene, 4-ethenyl-1,2-dimethoxy- X-2

490. 27576-03-0 1 0 0 Benzene, ethenyl-, dimethyl- I.D-1

491. 28106-30-1 1 0 0 Benzene, ethenylethyl- I.D-1

492. 71607-81-3 1 0 0 Benzene, ethenylethyldimethyl- I.D-1

493. 27138-10-9 1 0 0 Benzene, ethenylethylmethyl- I.D-1

494. 637-69-4 1 0 0 Benzene, 1-ethenyl-4-methoxy- X-2

495. 1 0 0 Benzene, ethenylmethyl- I.D-1

496. 611-15-4 1 0 0 Benzene, 1-ethenyl-2-methyl- I.D-1


22


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499. 71607-82-4 1 0 0 Benzene, ethenyltetramethyl- I.D-1

500. 50976-21-1 1 0 0 Benzene, ethenyltrimethyl- I.D-1

501. 103-73-1 1 0 0 Benzene, ethoxy- C6H5-O-CH2-CH3 X-2

502. 5076-72-2 1 0 0 Benzene, 1-ethoxy-4-methoxy X-2

503. 100-41-4 1 1 1 Benzene, ethyl- C6H5-CH2-CH3 I.D-1

504. 874-41-9 1 0 0 Benzene, 1-ethyl-2,4-dimethyl- I.D-1

505. 25550-14-5 1 0 0 Benzene, ethylmethyl- I.D-1

506. 611-14-3 1 1 1 Benzene, 1-ethyl-2-methyl- I.D-1



509. 18908-70-8 0 1 0 Benzene, 1-ethyl-2-(1-phenylethyl)- I.D-1

510. 18640-62-5 1 0 0 Benzene, 1-ethyl-4-(2-propenyl)- I.D-1

511. 536-74-3 1 0 0 Benzene, ethynyl- {phenylacetylene} I.D-1

512. 1 0 0 Benzene, 1-(2-hepten-6-yl)-4-methyl- I.D-1

513. 118-74-1 0 1 0 Benzene, hexachloro- XVIII.B-3, XXI-3

514. 1077-16-3 1 0 0 Benzene, hexyl- C6H5-(CH2)5-CH3 I.D-1

515. 622-78-6 0 1 0 Benzene, (isothiocyanatomethyl)- XVIII.A-1

516. 2257-09-2 0 1 0 Benzene, (2-isothiocyanatoethyl)- XVIII.A-1

517. 100-66-3 1 1 1 Benzene, methoxy- {anisole} C6H5-O-CH3 X-2

518. 21730-66-5 1 1 1 Benzene, methoxy-, 1-14

C, labeled with 14

C {anisole-1-

14C}

X-2

519. 26897-24-5 0 1 0 Benzene, methoxy-methyl- {2 isomers detected} X-2

520. 538-86-3 0 1 0 Benzene, (methoxymethyl)- {benzyl methyl ether} X-2

521. 578-58-5 1 0 0 Benzene, 1-methoxy-2-methyl- {o-methylanisole} X-2

522. 100-84-5 1 0 0 Benzene, 1-methoxy-3-methyl- {m-methylanisole} X-2

523. 104-93-8 1 1 1 Benzene, 1-methoxy-4-methyl- {p-methylanisole} X-2

524. 3794-96-5 0 1 0 Benzene, 2-methoxy-1-methyl-4-(1-methylethenyl)- X-2

525. 6379-73-3 0 1 0 Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)- X-2

526. 1076-56-8 0 1 0 Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)- X-2

527. 104-46-1 1 1 1 Benzene, 1-methoxy-4-(1-propenyl)- {anethole} X-2

528. 140-67-0 1 0 0 Benzene, 1-methoxy-4-(2-propenyl)- {estragole} X-2

529. 104-45-0 0 1 0 Benzene, 1-methoxy-4-propyl- {dihydroanethole} X-2

530. 16277-67-1 0 1 0 Benzene, (3-methoxy-1-propenyl)- X-2

531. 108-88-3 1 1 1 Benzene, methyl- {toluene} C6H5-CH3 I.D-1

532. 101-81-5 1 0 0 Benzene, 1,1'-methylenebis- {diphenylmethane}

C6H5-CH2-C6H5 I.D-1

533. 101-76-8 1 0 0 Benzene, 1,1'-methylenebis[4-chloro-

Cl Cl

XVIII.B-3

534. 98-83-9 1 0 0 Benzene, (1-methylethenyl)- {α-methylstyrene} C6H5-C(CH3)=CH2 I.D-1

535. 98-82-8 1 1 1 Benzene, (1-methylethyl)- {cumene} C6H5-CH=(CH3)2 I.D-1

23


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Chapter

Table

536. 1817-47-6 1 0 0 Benzene, 1-(1-methylethyl)-4-nitro- {4-nitrocumen} XVI-1

537. 1124-20-5 1 0 0 Benzene, 1-methyl-3-(1-methylethenyl)- I.D-1

538. 1195-32-0 1 0 0 Benzene, 1-methyl-4-(1-methylethenyl)-

{p,α-dimethylstyrene}

I.D-1

539. 535-77-3 1 1 1 Benzene, 1-methyl-3-(1-methylethyl)- {m-cymene} I.D-1

540. 99-87-6 1 1 1 Benzene, 1-methyl-4-(1-methylethyl)- {p-cymene} I.D-1

541. 88-72-2 1 0 0 Benzene, 1-methyl-2-nitro- XVI-1



544. 17271-70-4 1 0 0 Benzene, 1-methyl-3-(1-propenyl)- I.D-1

545. 1074-43-7 1 0 0 Benzene, 1-methyl-3-propyl- I.D-1

546. 1074-55-1 1 0 0 Benzene, 1-methyl-4-propyl- I.D-1

547. 538-93-2 1 0 0 Benzene, (2-methylpropyl)- C6H5-CH2-CH(CH3)2 I.D-1

548. 1139-49-7 1 0 0 Benzene, 1-methyl-3-(2,2,6-trimethylcyclohexyl)- {toluene, m-(2,2,6-trimethylcyclohexyl}

CH3 CH3

CH3

H3C

I.D-1

549. 16982-00-6 0 1 0 Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-

CH3 CH3

CH3H3C

I.D-1

550. 98-95-3 1 0 0 Benzene, nitro- C6H5-NO2 XVI-1

551. 15457-05-3 0 1 0 Benzene, 2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)- {Fluorodifen®}

XVI-1, XXI-3

552. 82-68-8 0 1 0 Benzene, nitropentachloro- {Quintocen®} XVI-1

553. 1 0 0 Benzene, octyl- C6H5-(CH2)7-CH3 I.D-1

554. 101-84-8 0 1 0 Benzene, 1,1'-oxybis- {diphenyl ether} C6H5-O-C6H5 X-2

555. 103-50-4 1 0 0 Benzene, 1,1'-[oxybis(methylene)]bis- {dibenzyl ether}

C6H5-CH2-O-CH2-C6H5 X-2

556. 55044-97-8 1 0 0 Benzene, 1,1'-[oxybis(methylene)]bis[4-ethyl- X-2

557. 538-68-1 1 1 1 Benzene, pentyl- C6H5-(CH2)4-CH3 I.D-1

558. 637-50-3 1 0 0 Benzene, 1-propenyl- C6H5-CH=CH-CH3 I.D-1

559. 300-57-2 1 0 0 Benzene, 2-propenyl- {allyl benzene} C6H5-CH2-CH=CH2 I.D-1

560. 103-65-1 1 1 1 Benzene, propyl- C6H5-(CH2)2-CH3 I.D-1

561. 673-32-5 1 0 0 Benzene, 1-propynyl- C6H5-C≡C-CH3 I.D-1

562. 938-22-7 0 1 0 Benzene, 1,2,3,5-tetrachloro-4-methoxy- X-2, XVIII.B-3

563. 25619-60-7 1 1 1 Benzene, tetramethyl- I.D-1

564. 488-23-3 1 0 0 Benzene, 1,2,3,4-tetramethyl- I.D-1



567. 116-29-0 0 1 0 Benzene, 1,2,4-trichloro-5-((4-chlorophenyl)sulfonyl)- {Tetradifon®}

XVIII.B-3, XXI-3

24


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S

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Chapter

Table

568. 50-29-3 1 1 1 Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro- {p,p’-DDT}

CCl3

Cl Cl

XVIII.B-3, XXI-3

569. 87-40-1 0 1 0 Benzene, 1,3,5-trichloro-2-methoxy- X-2, XVIII.B-3

570. 634-36-6 1 1 1 Benzene, 1,2,3-trimethoxy- X-2

571. 1 0 0 Benzene, 1,2,4-trimethoxy- X-2

572. 1 0 0 Benzene, 1,3,5-trimethoxy- X-2

573. 487-11-6 0 1 0 Benzene, 1,2,3-trimethoxy-5-(2-propenyl)- X-2

574. 2883-98-9 0 1 0 Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-, (Z)- X-2

575. 5273-86-9 0 1 0 Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-, (E)- X-2

576. 25551-13-7 1 1 1 Benzene, trimethyl- I.D-1

577. 526-73-8 1 1 1 Benzene, 1,2,3-trimethyl- I.D-1

578. 95-63-6 1 1 1 Benzene, 1,2,4-trimethyl- {pseudocumene} I.D-1

579. 108-67-8 1 1 1 Benzene, 1,3,5-trimethyl- {mesitylene} I.D-1

580. 122-78-1 1 1 1 Benzeneacetaldehyde {phenylacetaldehyde} CH2-CH=O

III-12

581. 4411-89-6 1 1 1 Benzeneacetaldehyde, α-ethylidene-

{2-phenyl-2-butenal}

III-12

582. 57568-60-2 0 1 0 Benzeneacetaldehyde, α-(2-furanylmethylene)- III-12, X-2

583. 5031-83-4 0 1 0 Benzeneacetaldehyde, α-(2-phenylethylidene)- III-12

584. 0 1 0 Benzeneacetaldehyde, 4-methyl- III-12

585. 103-81-1 1 1 1 Benzeneacetamide {phenylacetamide} C6H5-CH2-CO-NH2 XIII-1

586. 4695-13-0 0 1 0 Benzeneacetamide, α-phenyl- (C6H5)2=CH-CO-NH2 XIII-1

587. 957-51-7 1 1 1 Benzeneacetamide, N,N-dimethyl-α-phenyl- {diphenamid; Enide®}

O

CH3

CH3

N

XIII-1, XXI-3

588. 954-21-2 1 1 1 Benzeneacetamide, N-methyl-α-phenyl-

{desmethyl diphenamid}

O

CH3

N-H

XIII-1, XXI-3

589. 103-82-2 1 1 1 Benzeneacetic acid {phenylacetic acid} CH2-COOH

IV.A-3, XXI-3

590. 1 1 1 Benzeneacetic acid, labeled with 14

C {phenylacetic acid-

14C}

IV.A-3, XXV-29

591. 122-43-0 0 1 0 Benzeneacetic acid, butyl ester C6H5-CH2-COO-(CH2)3-CH3 V-3

592. 17119-15-2 1 0 0 Benzeneacetic acid, α,3-dihydroxy- HO CH2OH-COOH

II.A-5, IV.A-3,

IX.A-22

593. 1198-84-1 1 0 0 Benzeneacetic acid, α,4-dihydroxy- II.A-5, IV.A-3, IX.A-22

25


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Chapter

Table

594. 1 0 0 Benzeneacetic acid, α,?-dihydroxy-ethyl- II.A-5, IV.A-3, IX.A-22

595. 20432-26-2 0 1 0 Benzeneacetic acid, α-ethylidene-, (E)- IV.A-3

596. 90-64-2 0 1 0 Benzeneacetic acid, α-hydroxy- {mandelic acid} II.A-5, IV.A-3

597. 492-37-5 1 0 0 Benzeneacetic acid, α-methyl- {hydratropic acid} IV.A-3

598. 19988-45-5 1 0 0 Benzeneacetic acid, 2,3-dihydroxy- IV.A-3, IX.A-22




602. 96937-42-7 1 0 0 Benzeneacetic acid, ar,ar-dihydroxy-ar,ar-dimethyl- IV.A-3, IX.A-22

603. 96937-37-0 1 0 0 Benzeneacetic acid, ar,α-dihydroxy-ar-ethyl- IV.A-3, IX.A-22

604. 96937-48-3 1 0 0 Benzeneacetic acid, ar,ar-dihydroxy-ar-methyl- IV.A-3, IX.A-22

605. 96937-41-6 1 0 0 Benzeneacetic acid, 3,4-dihydroxy-ar-methyl- IV.A-3, IX.A-22

606. 614-75-5 1 1 1 Benzeneacetic acid, 2-hydroxy- IV.A-3, IX.A-22


608. 51630-58-1 0 1 0 Benzeneacetic acid, 4-chloro- α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester {Fenvalerate®}

COO-CH(CN)-

Cl

O

V-3, X-2, XI-2, XVIII.B-3, XXI-3

609. 70124-77-5 0 1 0 Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester

{Flucythrinate®}

O

O

OO

CN

CH3

CH3

F

F



611. 306-08-1 1 0 0 Benzeneacetic acid, 4-hydroxy-3-methoxy- {homovanillic acid}

IV.A-3, IX.A-22, X-2

612. 102-22-7 0 1 0 Benzeneacetic acid, 3,7-dimethyl-2,6-octadien-1-yl ester {geranyl phenylacetate}

V-3

613. 101-97-3 1 1 1 Benzeneacetic acid, ethyl ester

{ethyl phenylacetate}

C6H5-CH2-COO-CH2-CH3 V-3

614. 5421-17-0 0 1 0 Benzeneacetic acid, hexyl ester C6H5-CH2-COO-(CH2)5-CH3 V-3

615. 101-41-7 1 1 1 Benzeneacetic acid, methyl ester

{methyl phenylacetate}

C6H5-CH2-COO-CH3 V-3

616. 102-19-2 1 1 1 Benzeneacetic acid, 3-methylbutyl ester V-3

617. 101-94-0 0 1 0 Benzeneacetic acid, 4-methylphenyl ester

{p-tolyl phenylacetate}

V-3

618. 102-13-6 0 1 0 Benzeneacetic acid, 2-methylpropyl ester V-3

619. 1 102-20-5 0 1 0 Benzeneacetic acid, 2-phenylethyl ester C6H5-CH2-COO-(CH2)2-C6H5 V-3

620. 102-16-9 0 1 0 Benzeneacetic acid, phenylmethyl ester

{benzyl phenylacetate}

C6H5-CH2-COO-CH2-C6H5 V-3

26


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Chapter

Table

621. 140-29-4 1 1 1 Benzeneacetonitrile {benzyl cyanide} CH2-CN

XI-2

622. 14191-95-8 1 0 0 Benzeneacetonitrile, 4-hydroxy- IX.A-22, XI-2

623. 21850-61-3 1 0 0 Benzeneacetonitrile, 4-hydroxy-α-methyl- IX.A-22, XI-2

624. 1 0 0 Benzeneacetonitrile, methyl- XI-2

625. 22364-68-7 1 0 0 Benzeneacetonitrile, 2-methyl- XI-2

626. 1 0 0 Benzeneacetonitrile, 4-methyl- XI-2

627. 343-65-7 0 1 0 Benzenebutanoic acid, α,2-diamino-γ-oxo-

{kynurenine}

NH2

O NH2

COOH

III-13, IV.A-3, XII-2

628. 53392-07-7 1 0 0 Benzenebutanol, 4-methyl- II.A-5

629. 71607-71-1 1 0 0 Benzenediamine, N-methyl- XII-2

630. 95-54-5 1 0 0 1,2-Benzenediamine {o-phenylenediamine} XII-2

631. 3171-45-7 1 0 0 1,2-Benzenediamine, 4,5-dimethyl- XII-2

632. 25376-45-8 1 0 0 1,3-Benzenediamine, ar-methyl- XII-2

633. 1 0 0 1,4-Benzenediamine, N-methyl- XII-2

634. 101-54-2 1 0 0 1,4-Benzenediamine, N-phenyl- XII-2

635. 140-56-7 0 1 0 Benzenediazosulfonate, dimethylamino-, sodium salt {Fenaminosulf®}

XX-6, XXI-3

636. 91-15-6 1 0 0 1,2-Benzenedicarbonitrile XI-2


638. 1897-45-6 0 1 0 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro {Chlorothalonil®}

CN

Cl

CN

Cl

Cl

Cl

XI-2, XVIII.B-3,

XXI-3


640. 88-99-3 1 1 0 1,2-Benzenedicarboxylic acid {phthalic acid} IV.A-3

641. 121-91-5 1 0 0 1,3-Benzenedicarboxylic acid {isophthalic acid} IV.A-3

642. 100-21-0 1 1 1 1,4-Benzenedicarboxylic acid {terephthalic acid} IV.A-3

643. 7299-89-0 1 0 0 1,2-Benzenedicarboxylic acid, bis(2-ethylbutyl) ester V-3

644. 117-81-7 1 1 1 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester

V-3

645. 131-20-4

27554-26-3

1 1 1 1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester {diisooctyl phthalate}

V-3

646. 84-69-5 0 1 0 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester

V-3

647. 85-69-8 1 1 1 1,2-Benzenedicarboxylic acid, butyl, 2-ethylhexyl ester

V-3

648. 0 1 0 1,2-Benzenedicarboxylic acid, butyl, 2-methylbutyl ester

V-3

649. 0 1 0 1,2-Benzenedicarboxylic acid, butyl, 3-methylbutyl ester

V-3

27


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Chapter

Table

650. 0 1 0 1,2-Benzenedicarboxylic acid, butyl, phenylmethyl ester

V-3

651. 1 0 0 1,2-Benzenedicarboxylic acid, dialkyl ester {four isomers detected}

V-3

652. 84-74-2 1 1 1 1,2-Benzenedicarboxylic acid, dibutyl ester {dibutyl phthalate}

V-3

653. 84-66-2 1 1 1 1,2-Benzenedicarboxylic acid, diethyl ester {diethyl phthalate}

V-3

654. 84-75-3 0 1 0 1,2-Benzenedicarboxylic acid, dihexyl ester V-3

655. 131-11-3 1 1 1 1,2-Benzenedicarboxylic acid, dimethyl ester {dimethyl phthalate}

V-3

656. 117-84-0 1 1 1 1,2-Benzenedicarboxylic acid, dioctyl ester V-3

657. 131-16-8 1 1 1 1,2-Benzenedicarboxylic acid, dipropyl ester V-3

658. 1861-32-1 0 1 0 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-, dimethyl ester {DCPA®}

V-3, XXI-3

659. 1 0 0 Benzenediol, C2-alkyl- IX.A-22

660. 1 0 0 Benzenediol, C3-alkyl- IX.A-22

661. 71630-70-1 1 0 0 Benzenediol, ethyl-nitro- IX.A-22, XVI-1

662. 80934-44-7 1 0 0 Benzenediol, methyl- IX.A-22

663. 1 0 0 Benzenediol, methyl-nitro- IX.A-22, XVI-1

664. 62726-14-1 1 0 0 Benzenediol, nitro-

{at least 4 isomers were detected}

IX.A-22, XVI-1

665. 120-80-9 1 1 1 1,2-Benzenediol {catechol; pyrocatechol} OH

OH

3

4

5

6

IX.A-22

666. 69845-49-4 1 0 0 1,2-Benzenediol, dimethyl- IX.A-22

667. 2785-75-3 1 0 0 1,2-Benzenediol, 3,5-dimethyl- IX.A-22


669. 98-29-3 1 0 0 1,2-Benzenediol, 4-(1,1-dimethylethyl)- IX.A-22

670. 1 0 0 1,2-Benzenediol, 3-ethenyl- IX.A-22

671. 6053-02-7 1 0 0 1,2-Benzenediol, 4-ethenyl- IX.A-22

672. 28930-20-3 1 0 0 1,2-Benzenediol, ethyl- IX.A-22

673. 933-99-3 1 0 0 1,2-Benzenediol, 3-ethyl- IX.A-22


675. 71608-02-1 1 0 0 1,2-Benzenediol, 5-ethyl-3-nitro- IX.A-22, XVI-1

676. 934-00-9 1 0 0 1,2-Benzenediol, 3-methoxy- IX-22, X-2

677. 28930-19-0 1 0 0 1,2-Benzenediol, methyl- IX.A-22

678. 488-17-5 1 0 0 1,2-Benzenediol, 3-methyl- IX.A-22


680. 2138-48-9 1 0 0 1,2-Benzenediol, 3-(1-methylethyl)- IX.A-22


682. 102-29-4 1 0 0 1,2-Benzenediol, monoacetate V-3, IX.A-22

683. 6665-98-1 1 0 0 1,2-Benzenediol, 3-nitro- IX.A-22, XVI-1

28


CAS No.

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T

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Selected structures

Chapter

Table


685. 1126-61-0 1 1 1 1,2-Benzenediol, 4-(2-propenyl)- IX.A-22

686. 29031-84-3 1 0 0 1,2-Benzenediol, propyl- IX.A-22

687. 2896-63-1 1 0 0 1,2-Benzenediol, 3-propyl- IX.A-22


689. 108-46-3 1 1 1 1,3-Benzenediol {resorcinol} OH

4

5

6 2

OH

IX.A-22

690. 25377-27-9 1 0 0 1,3-Benzenediol, dimethyl- IX.A-22

691. 1 0 0 1,3-Benzenediol, 2,5-dimethyl- IX.A-22

692. 67965-47-3 1 0 0 1,3-Benzenediol, ethenyl- IX.A-22

693. 1 0 0 1,3-Benzenediol, ethyl- IX.A-22


695. 1 0 0 1,3-Benzenediol, methyl- IX.A-22


697. 504-15-4 1 0 0 1,3-Benzenediol, 5-methyl- {orcinol} IX.A-22

698. 1 0 0 1,3-Benzenediol, (1-methylethyl)- IX.A-22

699. 71608-03-2 1 0 0 1,3-Benzenediol, 4-methyl-6-nitro- IX.A-22, XVI-1

700. 1 0 0 1,3-Benzenediol, monoacetate V-3, IX.A-22


702. 68146-94-1 1 0 0 1,3-Benzenediol, propyl- IX.A-22

703. 123-31-9 1 1 1 1,4-Benzenediol {hydroquinone} OH

5

6 2

OH

3

IX.A-22

704. 1 0 0 1,4-Benzenediol, dimethyl- IX.A-22

705. 3233-32-7 1 0 0 1,4-Benzenediol, monoacetate V-3, IX-22

706. 1 0 0 1,4-Benzenediol, monopropanoate V-3, IX-22



709. 2349-70-4 1 0 0 1,4-Benzenediol, 2-ethyl- = 1,4-Benzenediol,

ethyl-

IX.A-22

710. 72693-14-2 1 0 0 1,4-Benzenediol, 2-ethyl-6-methyl- IX.A-22

711. 3233-32-7 1 0 0 1,4-Benzenediol, monoacetate V-3, IX-22

712. 824-46-4 1 1 1 1,4-Benzenediol, 2-methoxy- IX-22, X-2

713. 95-71-6 1 1 1 1,4-Benzenediol, 2-methyl- = 1,4-Benzenediol, methyl-

IX.A-22



716. 700-13-0 1 0 0 1,4-Benzenediol, 2,3,5-trimethyl- IX.A-22

29


CAS No.

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S

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Selected structures

Chapter

Table

717. 64-04-0 1 1 1 Benzeneethanamine C6H5-CH2-CH2-NH2 XII-2

718. 582-22-9 1 0 0 Benzeneethanamine, β-methyl- C6H5-CH(CH3)-CH2-NH2 XII-2

719. 589-08-2 1 1 1 Benzeneethanamine, N-methyl- C6H5-CH2-CH2-NH-CH3 XII-2

720. 60-12-8 1 1 1 Benzeneethanol {phenethyl alcohol}

Occasionally listed as 1321-27-3 Ethanol, phenyl-

C6H5-CH2CH2-OH II.A-5

721. 5040-23-3 1 0 0 Benzeneethanol, α,4-dimethyl- II.A-5

722. 7779-78-4 0 1 0 Benzeneethanol, α-(2-methylpropyl)- II.A-5

723. 13398-94-2 1 1 1 Benzeneethanol, 3-hydroxy- II.A-5, IX.A-22

724. 501-94-0 1 1 1 Benzeneethanol, 4-hydroxy- II.A-5, IX.A-22

725. 2380-78-1 1 0 0 Benzeneethanol, 4-hydroxy-3-methoxy- II.A-5, IX.A-22, X-2

726. 699-02-5 0 1 0 Benzeneethanol, 4-methyl- II.A-5

727. 100-46-9 1 1 1 Benzenemethanamine {benzylamine} C6H5-CH2-NH2 XII-2

728. 62924-70-3 0 1 0 Benzenemethanamine, 2-chloro-N-(2,6-dinitro-4-(trifluoromethyl)phenyl)-N-ethyl-6-fluoro- {Flumetralin®}

XII-2, XVI-1, XVIII.B-3, XXI-3

729. 100-51-6 1 1 1 Benzenemethanol {benzyl alcohol} C6H5-CH2OH II.A-5

730. 1197-01-9 1 1 1 Benzenemethanol, α,α,4-trimethyl-

{p,α,α-trimethylbenzyl alcohol}

II.A-5

731. 617-94-7 1 1 1 Benzenemethanol, α,α-dimethyl- C6H5-C(CH3)2OH II.A-5

732. 536-50-5 0 1 0 Benzenemethanol, α,4-dimethyl- II.A-5

733. 4393-06-0 0 1 0 Benzenemethanol, α-ethenyl- C6H5-CH(CH=CH2)OH II.A-5

734. 93-54-9 0 1 0 Benzenemethanol, α-ethyl- {1-phenyl-1-propanol} C6H5-CH(C2H5)OH II.A-5

735. 98-85-1 1 1 1 Benzenemethanol, α-methyl- C6H5-CH(CH3)OH II.A-5

736. 93-92-5 0 1 0 Benzenemethanol, α-methyl-, acetate V-3

737. 13651-14-4 1 0 0 Benzenemethanol, 2,3-dimethyl- II.A-5

738. 89-95-2 1 1 1 Benzenemethanol, 2-methyl- II.A-5

739. 620-24-6 1 1 1 Benzenemethanol, 3-hydroxy- II.A-5, IX.A-22

740. 105-13-5 0 1 0 Benzenemethanol, 4-methoxy- {anisyl alcohol} II.A-5, X-2

741. 104-21-2 1 1 1 Benzenemethanol, 4-methoxy-, acetate

{anisyl acetate}

V-3, X-2

742. 122-91-8 0 1 0 Benzenemethanol, 4-methoxy-, formate V-3, X-2

743. 102-17-0 0 1 0 Benzenemethanol, 4-methoxy-, phenylacetate V-3, X-2

744. 7549-33-9 0 1 0 Benzenemethanol, 4-methoxy-, propanoate V-3, X-2

745. 589-18-4 0 1 0 Benzenemethanol, 4-methyl- II.A-5

746. 6282-37-7 1 0 0 Benzenemethanol, 4-methyl-α-propyl- II.A-5

747. 1331-81-3 0 1 0 Benzenemethanol, ar-methoxy- II.A-5, X-2

748. 27043-34-1 1 0 0 Benzenemethanol, methyl- II.A-5

749. 104-53-0 0 1 0 Benzenepropanal C6H5-CH2CH2-CH=O III-12

750. 80638-48-8 1 0 0 Benzenepropanal, 4-hydroxy-3-methoxy- III-12, IX.A-22, X-2

751. 103-95-3 0 1 0 Benzenepropanal, α-methyl-4-(1-methylethyl)-

{cyclamen aldehyde}

III-12

752. 102-93-2 1 1 1 Benzenepropanamide C6H5-CH2CH2-CONH2 XIII-1

30


CAS No.

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T

S

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Selected structures

Chapter

Table

753. 121850-61-1 0 1 0 Benzenepropanamide, N-[3-[[4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]amino]butyl]amino ]propyl]-3,4-dihydroxy-

IX.A-22, XIII-1

754. 645-59-0 1 0 0 Benzenepropanenitrile C6H5-CH2CH2-CN XI-2

755. 501-52-0 1 1 1 Benzenepropanoic acid

{3-phenylpropionic acid or hydrocinnamic acid}

C6H5-CH2CH2-COOH IV.A-3

756. 156-06-8 0 1 0 Benzenepropanoic acid, α-hydroxy-

{phenyllactic acid}

C6H5-CH2-CH2OH-COOH II.A-5, IV.A-3

757. 7326-19-4 0 1 0 Benzenepropanoic acid, α-hydroxy-, (R)- II.A-5, IV.A-3

758. 4593-90-2 1 0 0 Benzenepropanoic acid, β-methyl- IV.A-3

759. 156-06-9 0 1 0 Benzenepropanoic acid, α-oxo-

{phenylpyruvic acid}

C6H5-CH2-CO-COOH IV.A-3

760. 24696-05-7 0 1 0 Benzenepropanoic acid, 2-(β-D-glucopyranosyloxy)- II.A-5, IV.A-3, X-2

761. 1 0 0 Benzenepropanoic acid, dihydroxy-methoxy- IV.A-3, X-2, IX.A-22

762. 1 1 1 Benzenepropanoic acid, 2-(methylnitrosamino)-

IV.A-3, XV-8

763. 3714-73-6 1 0 0 Benzenepropanoic acid, 2,3-dihydroxy- IV.A-3, IX.A-22

764. 96937-38-1 1 0 0 Benzenepropanoic acid, 2,3-dihydroxy-ar-methyl- IV.A-3, IX.A-22

765. 10538-47-3 1 0 0 Benzenepropanoic acid, 2,5-dihydroxy- IV.A-3, IX.A-22


767. 495-78-3 1 1 1 Benzenepropanoic acid, 2-hydroxy- IV.A-3, IX.A-22

768. 1078-61-1 1 1 1 Benzenepropanoic acid, 3,4-dihydroxy-

{dihydrocaffeic acid}

IV.A-3, IX.A-22

769. 96961-47-6 1 0 0 Benzenepropanoic acid, 3,4-dihydroxy-2,5,6-trimethyl-

IV.A-3, IX.A-22




773. 156-39-8 1 0 0 Benzenepropanoic acid, 4-hydroxy-α-oxo- IV.A-3, IX.A-22

774. 5597-50-2 1 0 0 Benzenepropanoic acid, 4-hydroxy-, methyl ester V-3, IX.A-22

775. 1135-23-5 1 0 0 Benzenepropanoic acid, 4-hydroxy-3-methoxy- {hydroferulic acid}

IV.A-3, IX.A-22, X-2

776. 96937-36-9 1 0 0 Benzenepropanoic acid, ar,ar-dihydroxy-ar-methoxy-

IV.A-3, IX.A-22, X-2

777. 96937-35-8 1 0 0 Benzenepropanoic acid, ar,ar-dihydroxy-ar-methyl- IV.A-3, IX.A-22, X-2

778. 122-97-4 1 1 1 Benzenepropanol {3-phenyl-1-propanol} C6H5-CH2-CH2-CH2OH II.A-5

779. 1992-50-3 1 0 0 Benzenepropanol, α-ethyl- C6H5-CH2-CH2-CH(C2H5)OH II.A-5

780. 2845-25-2 1 0 0 Benzenepropanol, γ-ethyl-, (S)- C6H5-CH(C2H5)-CH2-CH2OH II.A-5

781. 10210-17-0 1 0 0 Benzenepropanol, 4-hydroxy- II.A-5, IX.A-22

782. 19044-88-3 0 1 0 Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro- {Oryzalin®}

XVI-1, XVIII.A-1, XXI-3

783. 108-98-5 1 0 0 Benzenethiol {phenyl mercaptan} C6H5-SH XVIII.A-1

784. 87-66-1 1 1 1 1,2,3-Benzenetriol {pyrogallol} IX.A-22

31


CAS No.

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T

S

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Selected structures

Chapter

Table

785. 533-73-3 1 0 0 1,2,4-Benzenetriol {hydroxyhydroquinone} IX.A-22

786. 1 0 0 1,2,4-Benzenetriol, methyl- IX.A-22

787. 51-17-2 1 0 0 1H-Benzimidazole N

NH

XVII.E-6

788. 1 0 0 1H-Benzimidazole, C2-alkyl- XVII.E-6

789. 5851-44-5 1 0 0 1H-Benzimidazole, 2-butyl- XVII.E-6

790. 72692-74-1 1 0 0 1H-Benzimidazole, dimethyl- XVII.E-6

791. 2876-08-6 1 0 0 1H-Benzimidazole, 1,2-dimethyl- XVII.E-6

792. 72692-75-2 1 0 0 1H-Benzimidazole, ethyl- XVII.E-6

793. 30304-58-6 1 0 0 1H-Benzimidazole, methyl- XVII.E-6

794. 1632-83-3 1 0 0 1H-Benzimidazole, 1-methyl- XVII.E-6

795. 615-15-6 1 0 0 1H-Benzimidazole, 2-methyl- XVII.E-6

796. 946-18-9 1 0 0 1H-Benzimidazole, 2-(3-methylbutyl)- XVII.E-6

797. 82326-40-7 1 0 0 1H-Benzimidazole, 2-(2-naphthalenylmethyl)- XVII.E-6

798. 148-79-8 1 1 1 1H-Benzimidazole, 2-(4-thiazolyl)- {Thiabendazole®}

N

NH

N

S

XVIII.A-1

799. 3363-56-2 0 1 0 1H-Benzimidazole, 2,5,6-trimethyl- XVII.E-6

800. 10605-21-7 0 1 0 1H-Benzimidazole-2-carbamic acid, methyl ester {Carbendazim®}

NH

N

NH-COO-CH3

V-3, XXI-3

801. 17804-35-2 0 1 0 1H-Benzimidazole-2-carbamic acid, 1-(butylcarbamomyl)-, methyl ester {Benomyl®} N

N

NH-COO-CH3

CO-NH-C4H9

V-3, XXI-3

802. 232-54-2 1 0 0 1H-Benz[e]indene

I.E-6

803. 1 0 0 1H-Benz[e]indene, dimethyl- I.E-6

804. 1 0 0 1H-Benz[e]indene, ethylmethyl- I.E-6

805. 64031-90-9 1 0 0 1H-Benz[e]indene, methyl- I.E-6

806. 268-40-6 1 0 0 1H-Benz[f]indene

I.E-6

807. 60826-71-3 1 0 0 1H-Benz[f]indene, dimethyl- I.E-6

808. 71265-34-4 1 0 0 1H-Benz[f]indene, ethylmethyl- I.E-6

809. 60826-63-3 1 0 0 1H-Benz[f]indene, methyl- I.E-6

810. 1 0 0 Benzocarbazole XVII.E-6

811. 1 0 0 Benzocarbazole, dimethyl- XVII.E-6

812. 1 0 0 Benzocarbazole, methyl- XVII.E-6

813. 239-01-0 1 0 0 11H-Benzo[a]carbazole

NH

XVII.E-6

32


CAS No.

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Selected structures

Chapter

Table

814. 243-28-7 1 0 0 5H-Benzo[b]carbazole

NH

XVII.E-6

815. 205-25-4 1 0 0 7H-Benzo[c]carbazole

NH

XVII.E-6

816. 214-17-5 1 0 0 Benzo[b]chrysene {dibenzo[b,h]phenanthrene}

I.E-6

817. 146506-80-1 1 0 0 Benzo[g]chrysene, methyl- I.E-6

818. 7099-43-6 1 0 0 1H-Benzo[a]cyclopent[h]anthracene, 2,3-dihydro- {5,6-cyclopentano-1,2-benzanthracene, 2,3-dihydro-}

I.E-6

819. 7099-42-5 1 0 0 9H-Benzo[a]cyclopent[i]anthracene, 10,11-dihydro- {6,7-cyclopentano-1,2-benzanthracene, 9,10-dihydro-}

I.E-6

820. 3811-49-2 0 1 0 4H-1,3,2-Benzodioxaphosphorin-2-sulfide, 2-methoxy- {Salithion®}

OP

O

S

OCH3

X-2, XVIII.A-1,

XXI-3

821. 51-03-6 0 1 0 1,3-Benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl- {piperonyl butoxide}

O

O

O[ O

]

(CH2)2-CH3

(CH2)3-CH3

2

X-2, XXI-3

822. 607-91-0 1 1 1 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- {myristicin}

OCH3

O

O

CH2

H2C=CH=CH2

1

3

4

5

6

7

X-2

823. 94-59-7 0 1 0 1,3-Benzodioxole, 5-(2-propenyl)- {safrole} X-2

824. 120-57-0 1 1 1 1,3-Benzodioxole-5-carboxaldehyde {piperonal; heliotropin}

O

O

CH=O

2

1

3 45

III-12, X-2

825. 56832-73-6 1 0 0 Benzofluoranthene I.E-6

826. 1 0 0 Benzofluoranthene, dimethyl- I.E-6

827. 1 0 0 Benzofluoranthene, ethyl- I.E-6

828. 1 0 0 Benzofluoranthene, methyl- I.E-6

829. 16135-81-2

42126-84-1

1 0 0 11H-Benzo[cd]fluoranthene 1

2

3

45

6

7

8

9

10 11

I.E-6

33


CAS No.

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T

S

T


Selected structures

Chapter

Table

830. 203-12-3 1 0 0 Benzo[ghi]fluoranthene

a

b

c

d

e f

g

h i

I.E-6

831. 64760-14-1 1 0 0 Benzo[ghi]fluoranthene, dimethyl- I.E-6

832. 71265-35-5 1 0 0 Benzo[ghi]fluoranthene, ethyl- I.E-6

833. 51001-44-6 1 0 0 Benzo[ghi]fluoranthene, methyl- I.E-6

834. 71265-21-9 1 0 0 Benzo[ghi]fluoranthene, 1-methyl- I.E-6



837. 71265-24-2 1 0 0 Benzo[ghi]fluoranthene, 4-methyl-

{also known as 7-methylbenzo[ghi]fluoranthene}

I.E-6

838. 205-82-3 1 0 0 Benzo[j]fluoranthene

I.E-6

839. 60826-67-7 1 0 0 Benzo[j]fluoranthene, methyl- I.E-6

840. 207-08-9 1 0 0 Benzo[k]fluoranthene

I.E-6

841. 41637-93-8 1 0 0 Benzo[k]fluoranthene, methyl- I.E-6

842. 1 0 0 Benzofluorene I.E-6

843. 1 0 0 Benzofluorene, alkyl- I.E-6

844. 77271-50-2 1 0 0 Benzofluorene, dimethyl-

{at least three isomers in MSS}

I.E-6

845. 60918-47-0 1 0 0 Benzofluorene, methyl- {at least four isomers in MSS}

I.E-6

846. 77271-51-3 1 0 0 Benzofluorene, tetramethyl- {at least two isomers in MSS}

I.E-6

847. 1 0 0 Benzofluorene, trimethyl- I.E-6

848. 30777-18-5 1 0 0 Benzo[a]fluorene I.E-6

849. 238-79-9 1 0 0 5H-Benzo[a]fluorene 12

3

4

5678

9

10

11

a

b

I.E-6

850. 238-84-6 1 0 0 11H-Benzo[a]fluorene 12

3

4

5678

9

1011

I.E-6

851. 1 0 0 11H-Benzo[a]fluorene, dimethyl- I.E-6

852. 60826-64-4 1 0 0 11H-Benzo[a]fluorene, methyl- I.E-6

853. 71265-25-3 1 0 0 11H-Benzo[a]fluorene, 11-methyl- I.E-6

854. 71607-85-7 1 0 0 11H-Benzo[a]fluorene, trimethyl-


I.E-6

855. 30777-19-6 1 0 0 5H-Benzo[b]fluorene I.E-6

34


CAS No.

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T

S

T


Selected structures

Chapter

Table

856. 243-17-4 1 0 0 11H-Benzo[b]fluorene 1

2

3

45

678

9

1011

a

b

I.E-6

857. 60826-65-5 1 0 0 11H-Benzo[b]fluorene, methyl- I.E-6

858. 1 0 0 11H-Benzo[b]fluorene, 9-methyl- I.E-6

859. 1 0 0 Benzo[c]fluorene, methyl- I.E-6

860. 205-12-9 1 0 0 7H-Benzo[c]fluorene a

bc

6

1

2 3

4

5

78

9

1011

I.E-6

861. 60826-66-6 1 0 0 7H-Benzo[c]fluorene, methyl- I.E-6

862. 1 0 0 11H-Benzo[c]fluorene a

bc

6

1

2 3

4

5

78

9

1011

I.E-6

863. 1 0 0 11H-Benzo[c]fluoren-11-one

O

III-13

864. 271-89-6 1 0 0 Benzofuran {benzo[b]furan; coumarone} O

2

34

5

6

7

X-2

865. 25586-39-4 1 0 0 Benzofuran, dimethyl- {3 isomers detected}

X-2

866. 58924-34-8 1 0 0 Benzofuran, ethyl- X-2

867. 71265-37-7 1 0 0 Benzofuran, ethyldimethyl- X-2

868. 25586-38-3 1 0 0 Benzofuran, methyl- {3 isomers detected}

X-2

869. 13054-97-2 1 0 0 Benzofuran, octahydro- X-2

870. 71265-38-8 1 0 0 Benzofuran, pentamethyl- X-2

871. 36618-49-2 1 0 0 Benzofuran, tetramethyl- X-2

872. 36541-17-0 1 0 0 Benzofuran, trimethyl- X-2

873. 496-16-2 1 1 1 Benzofuran, 2,3-dihydro- {coumaran} X-2

874. 71265-36-6 1 0 0 Benzofuran, 2,3-dihydromethyl- X-2

875. 1746-11-6 0 1 0 Benzofuran, 2,3-dihydro-2-methyl- X-2

876. 3782-00-1 1 0 0 Benzofuran, 2,3-dimethyl- X-2

877. 28715-26-6 1 0 0 Benzofuran, 2,3-dimethyl- X-2

878. 1 0 0 Benzofuran, 2,3,3a,4,5,7a-hexahydro-4,4,7a-trimethyl-

O

2

33a

4

5

6

7

7a

X-2

879. 4265-25-2 1 0 0 Benzofuran, 2-methyl- X-2

880. 1 0 0 Benzofuran, 3-ethyl- X-2

881. 17059-52-8 1 0 0 Benzofuran, 5-methyl- X-2

35


CAS No.

S

T

S

T


Selected structures

Chapter

Table

882. 494-90-6 1 0 0 Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl- X-2

883. 1 0 0 Benzofuran, 4-hydroxy-5,6-dimethyl- IX.A-22, X-2

884. 60026-12-2 1 1 1 Benzofuran, 5-hydroxy-6,7-dimethyl- IX.A-22, X-2

885. 35355-35-2 0 1 0 Benzofuran, 5-methoxy-6,7-dimethyl- IX.A-22, X-2

886. 16655-82-6 1 1 1 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate) {3-Hydroxycarbofuran®}

OOC-NH-CH3

O CH3

CH3

OH

II.A-5, V-3, X-2,

XXI-3

887. 1 0 0 1,3-Benzofurandione, 5-(1,1-dimethylheptyl)- III-13, VII-1

888. 31297-30-0 1 0 0 2,3-Benzofurandione, 2,3-dihydro-4,7-dimethyl- III-13, VI-3

889. 19355-58-9 0 1 0 2,6-Benzofurandione, 4,5,7,7a-tetrahydro-4,4,7a-trimethyl-

O1

2

34

5

6

7

3a

7aO

O

III-13, VI-3

890. 73051-72-6 0 1 0 2-Benzofuranmethanol, 2,4,5,6,7,7a-hexahydro-6-

hydroxy-α,4,4,7a-tetramethyl-

II.A-5

891. 0 1 0 6-Benzofuranol, 4,5,7,7a-tetrahydro-2-(1-hydroxyethyl)-4,4,7a- trimethyl-

H3C CH3

OH

CH3HO O

CH3

II.A-5, X-2

892. 39815-67-3 0 1 0 6-Benzofuranol, octahydro-4,4,7a-trimethyl-

OHO

12

34

5

6

7

3a

7a

II.A-5, X-2

893. 1563-66-2 1 1 1 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate = Methylcarbamic acid, 2,3-dihydro-2,2-dimethyl-7benzofuranyl ester

{Furadan®; Carbofuran®}

OOC-NH-CH3

O CH3

CH3

X-2, XXI-3

894. 26225-79-6 0 1 0 7-Benzofuranol, 2,3-dihydro-3,3-dimethyl-2-ethoxy-, methanesulfonate {Ethofumesate®}

O

O-C2H5

H3C-SO2-O

X-2, XVIII.A-1,

XXI-3

895. 13341-72-5 0 1 0 Benzofuranone, dimethyltetrahydro- VI-3

896. 1 0 0 2(3H)-Benzofuranone VI-3

897. 61892-48-6 1 0 0 2(3H)-Benzofuranone, hexahydro-3a-hydroxy- II.A-5, VI-3

898. 16778-27-1 1 1 1 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl- {mariolide; dihydroactinidiolide}

O

O1

2

34

5

6

7

7a

VI-3

899. 37531-06-9 0 1 0 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-, (Z)-

VI-3

900. 37531-07-0 0 1 0 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-, (E)-

VI-3

901. 0 1 0 2(3H)-Benzofuranone, octahydro-4,4,7a-trimethyl- {tetrahydroactinidiolide}

VI-3

36


CAS No.

S

T

S

T


Selected structures

Chapter

Table

902. 19432-09-8 1 1 1 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-4,4,7a-trimethyl-, cis-

O

O

VI-3

903. 75840-26-5 0 1 0 2(4H)-Benzofuranone, 5,6-dihydro-3,6-dimethyl- VI-3

904. 17063-17-1 0 1 0 2(4H)-Benzofuranone, 5,7a-dihydro-4,4,7a-trimethyl-, (R)-

VI-3

905. 82395-89-9 0 1 0 2(4H)-Benzofuranone, 6-(β-D-glucopyranosyloxy)-5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (6S-Z)-

VI-3

906. 10481-90-0 0 1 0 2(4H)-Benzofuranone, 6-hydroxy-5,6,7,7a-

tetrahydro-4,4,7a-trimethyl-, Z-(±)- {loliolide}

VI-3

907. 5989-02-6 1 1 1 2(4H)-Benzofuranone, 6-hydroxy-5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (6S-Z)-

VI-3

908. 38725-47-2 0 1 0 2(4H)-Benzofuranone, tetrahydro-4,4,7a-trimethyl- VI-3

909. 15356-74-8 1 1 1 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-

VI-3

910. 17092-92-1 1 1 1 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (R)-

VI-3

911. 124052-02-4 0 1 0 3(2H)-Benzofuranone, 2-(3,4-dihydroxyphenyl)-2,4,6-trihydroxy-

III-13, IX.A-22

912. 117769-21-8 0 1 0 5(4H)-Benzofuranone, 2,7a-dihydro-2-(1-hydroxyethyl)-4,4-dimethyl-

III-13, VI-3, X-2

913. 39815-70-8 0 1 0 6(2H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-

O O

2

34

5

67

III-13, X-2

914. 70875-03-5 0 1 0 6(2H)-Benzofuranone, 4,5,7,7a-tetrahydro-2-(1-hydroxyethyl)-4,4,7a-trimethyl-

O O OH

2

345

6

7

II.A-5, III-13, X-2

915. 39815-73-1 0 1 0 6(2H)-Benzofuranone, 4,5,7,7a-tetrahydro-4,4,7a-trimethyl-

III-13, X-2

916. 65-85-0 1 1 1 Benzoic acid {benzenecarboxylic acid} COOH

2

3

4

5

6

IV.A-3

917. 136-60-7 1 0 0 Benzoic acid, butyl ester C6H5-COO-(CH2)3-CH3 V-3

918. 96937-46-1 1 0 0 Benzoic acid, dihydroxy-dimethyl- IV.A-3, IX.A-22

919. 96937-47-2 1 0 0 Benzoic acid, dihydroxy-ethyl- IV.A-3, IX.A-22

920. 96937-44-9 1 0 0 Benzoic acid, dimethyl-hydroxy- IV.A-3, IX.A-22

921. 93-89-0 1 0 0 Benzoic acid, ethyl ester {ethyl benzoate} C6H5-COO-CH2-CH3 V-3

922. 96937-43-8 1 0 0 Benzoic acid, ethyl-hydroxy- IV.A-3, IX.A-22

923. 6789-88-4 0 1 0 Benzoic acid, hexyl ester C6H5-COO-(CH2)5-CH3 V-3

924. 87323-67-9 1 0 0 Benzoic acid, hydroxy-methoxy- IV.A-3, IX.A-22

925. 28965-86-8 1 0 0 Benzoic acid, hydroxy-methyl- IV.A-3, IX.A-22

926. 1 0 0 Benzoic acid, methyl- {toluic acid} IV.A-3

927. 93-58-3 1 1 1 Benzoic acid, methyl ester {methyl benzoate} C6H5-COO-CH3 V-3

928. 2049-96-9 1 0 0 Benzoic acid, pentyl ester {amyl benzoate} C6H5-COO-(CH2)4-CH3 V-3

929. 93-99-2 0 1 0 Benzoic acid, phenyl ester C6H5-COO-C6H5 V-3

37


CAS No.

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T

S

T


Selected structures

Chapter

Table

930. 120-51-4 1 1 1 Benzoic acid, phenylmethyl ester

{benzyl benzoate}

C6H5-COO-CH2-C6H5 V-3

931. 2315-68-6 1 1 1 Benzoic acid, propyl ester C6H5-COO-(CH2)2-CH3 V-3

932. 532-32-1 0 1 0 Benzoic acid, sodium salt XX-6

933. 118-92-3 0 1 0 Benzoic acid, 2-amino- IV.A-3, XII-2

934. 134-20-3 0 1 0 Benzoic acid, 2-amino-, methyl ester

{methyl anthranilate}

V-3

935. 612-19-1 1 0 0 Benzoic acid, 2-ethyl- IV.A-3

936. 10366-91-3 0 1 0 Benzoic acid, 2-(β-D-glucopyranosyloxy)- II.A-5, IV.A-3

937. 612-20-4 1 0 0 Benzoic acid, 2-(hydroxymethyl)- II.A-5, IV.A-3

938. 85-91-6 0 1 0 Benzoic acid, 2-(methylamino)-, methyl ester V-3

939. 69-72-7 1 1 1 Benzoic acid, 2-hydroxy- {salicylic acid} IV.A-3, IX.A-22

940. 118-61-6 0 1 0 Benzoic acid, 2-hydroxy-, ethyl ester {ethyl salicylate}

V-3, IX.A-22

941. 6259-76-3 0 1 0 Benzoic acid, 2-hydroxy-, hexyl ester V-3, IX.A-22

942. 119-36-8 1 1 1 Benzoic acid, 2-hydroxy-, methyl ester

{methyl salicylate}

V-3, IX.A-22

943. 87-20-7 0 1 0 Benzoic acid, 2-hydroxy-, 3-methylbutyl ester

{isoamyl salicylate}

V-3, IX.A-22

944. 87-19-4 0 1 0 Benzoic acid, 2-hydroxy-, 2-methylpropyl ester {isobutyl salicylate}

V-3, IX.A-22

945. 118-55-8 0 1 0 Benzoic acid, 2-hydroxy-, 2-phenylethyl ester

{phenethyl salicylate}

V-3, IX.A-22

946. 118-58-1 0 1 0 Benzoic acid, 2-hydroxy-, phenylmethyl ester

{benzyl salicylate}

V-3, IX.A-22

947. 50-85-1 1 0 0 Benzoic acid, 2-hydroxy-4-methyl- IV.A-3, IX.A-22

948. 579-75-9 0 1 0 Benzoic acid, 2-methoxy- {o-anisic acid} IV.A-3, X-2

949. 118-90-1 1 1 1 Benzoic acid, 2-methyl- {o-toluic acid} IV.A-3

950. 94-47-3 0 1 0 Benzoic acid, 2-phenylethyl ester {2-phenylethyl benzoate}

V-3

951. 583-04-0 0 1 0 Benzoic acid, 2-propenyl ester V-3

952. 303-38-8 1 1 1 Benzoic acid, 2,3-dihydroxy- IV.A-3, IX.A-22

953. 3934-81-4 1 0 0 Benzoic acid, 2,3-dihydroxy-4-methoxy- IV.A-3, IX.A-22, X-2

954. 3929-89-3 1 0 0 Benzoic acid, 2,3-dihydroxy-4-methyl- IV.A-3, IX.A-22

955. 603-79-2 1 0 0 Benzoic acid, 2,3-dimethyl- IV.A-3

956. 610-02-6 1 0 0 Benzoic acid, 2,3,4-trihydroxy- IV.A-3, IX.A-22

957. 89-86-1 1 0 0 Benzoic acid, 2,4-dihydroxy- {β-resorcylic acid} IV.A-3, IX.A-22

958. 490-79-9 1 1 1 Benzoic acid, 2,5-dihydroxy- {gentisic acid} IV.A-3, IX.A-22, XXI-3

959. 96937-49-4 1 0 0 Benzoic acid, 2,5-dihydroxy-methyl- IV.A-3, IX.A-22




963. 99-06-9 1 1 1 Benzoic acid, 3-hydroxy- IV.A-3, IX.A-22

38


CAS No.

S

T

S

T


Selected structures

Chapter

Table

964. 19438-10-9 1 0 0 Benzoic acid, 3-hydroxy-, methyl ester V-3, IX.A-22

965. 645-08-9 1 0 0 Benzoic acid, 3-hydroxy-4-methoxy- {isovanillic acid}

IV.A-3, IX.A-22, X-2

966. 87513-63-1 0 1 0 Benzoic acid, 3-hydroxy-6-methoxy-, methyl ester V-3, IX.A-22, X-2

967. 586-30-1 1 1 1 Benzoic acid, 3-hydroxy-4-methyl- IV.A-3, IX.A-22

968. 586-38-9 1 1 1 Benzoic acid, 3-methoxy- IV.A-3, X-2

969. 99-04-7 1 1 1 Benzoic acid, 3-methyl- {m-toluic acid} IV.A-3

970. 0 1 0 Benzoic acid, 3-methylbutyl ester V-3

971. 99-50-3 1 1 1 Benzoic acid, 3,4-dihydroxy- {protocatechuic acid} IV.A-3

972. 96937-39-2 1 0 0 Benzoic acid, 3,4-dihydroxy-dimethyl- IV.A-3, IX.A-22

973. 96937-40-5 1 0 0 Benzoic acid, 3,4-dihydroxy-methyl- IV.A-3, IX.A-22

974. 1 0 0 Benzoic acid, 3,4-dihydroxy-C4-alkyl-methyl- IV.A-3, IX.A-22

975. 93-07-2 0 1 0 Benzoic acid, 3,4-dimethoxy- IV.A-3, X-2


977. 149-91-7 1 0 0 Benzoic acid, 3,4,5-trihydroxy- {gallic acid} IV.A-3, IX.A-22

978. 121-79-9 1 0 0 Benzoic acid, 3,4,5-trihydroxy-, propyl ester

{propyl gallate}

V-3, IX.A-22



981. 1918-00-9 0 1 0 Benzoic acid, 3,6-dichloro-2-methoxy-

{Dicamba®}

IV.A-3, X-2, XVIII.B-3, XXI-3

982. 126-64-7 0 1 0 Benzoic acid, 3,7-dimethyl-1,6-octadien-6-yl ester {linalyl benzoate}

V-3


984. 32142-31-7 0 1 0 Benzoic acid, 4-(β-D-glucopyranosyloxy)-3-methoxy-

II.A-5, IV.A-3, VIII-3, X-2

985. 99-96-7 1 1 1 Benzoic acid, 4-hydroxy- {p-salicylic acid} IV.A-3, IX.A-22

986. 35285-68-9 0 1 0 Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt COO-C2H5NaO

V-3, XX-6

987. 99-76-3 1 0 0 Benzoic acid, 4-hydroxy-, methyl ester V-3, IX.A-22

988. 530-57-4 1 1 1 Benzoic acid, 4-hydroxy-3,5-dimethoxy-

{syringic acid}

IV.A-3, IX.A-22, X-2

989. 121-34-6 1 1 1 Benzoic acid, 4-hydroxy-3-methoxy- {vanillic acid} IV.A-3, IX.A-22, X-2, XXI-3

990. 617-05-0 0 1 0 Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester V-3, IX.A-22, X-2

991. 3943-74-6 1 0 0 Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester V-3, IX.A-22, X-2

992. 96937-45-0 1 0 0 Benzoic acid, 4-hydroxy-methyl- IV.A-3, IX.A-22

993. 121-98-2 0 1 0 Benzoic acid, 4-methoxy-, methyl ester {methyl anisate}

V-3, X-2

994. 99-94-5 0 1 0 Benzoic acid, 4-methyl- {p-toluic acid} IV.A-3

995. 3619-22-5 1 0 0 Benzoic acid, 4-methyl-, hydrazide XIII-1

996. 1 0 0 Benzoisoquinoline XVII.E-6

997. 1 0 0 Benzoisoquinoline, dimethyl- XVII.E-6

39


CAS No.

S

T

S

T


Selected structures

Chapter

Table

998. 1 0 0 Benzoisoquinoline, methyl- XVII.E-6

999. 1 0 0 Benzoisoquinoline, tetramethyl- XVII.E-6

1000. 1 0 0 Benzoisoquinoline, trimethyl- XVII.E-6

1001. 226-88-0 1 0 0 Benzo[a]naphthacene

I.E-6

1002. 239-30-5 1 0 0 Benzo[b]naphtho[2,1-d]furan X-2

1003. 243-42-5 1 0 0 Benzo[b]naphtho[2,3-d]furan X-2

1004. 1 0 0 Benzo[b]naphtho[2,1-d]thiophene XVIII.A-1

1005. 100-47-0 1 1 1 Benzonitrile {phenyl cyanide} C6H5-CN XI-2

1006. 1 0 0 Benzonitrile, C2-alkyl- {2 isomers detected} XI-2

1007. 1 0 0 Benzonitrile, C3-alkyl- {5 isomers detected} XI-2

1008. 6136-68-1 1 0 0 Benzonitrile, 3-acetyl- XI-2

1009. 1885-29-6 1 0 0 Benzonitrile, 2-amino- {anthranilonitrile} XI-2, XII-2

1010. 36541-24-9 1 0 0 Benzonitrile, dimethyl- XI-2

1011. 5724-56-1 1 0 0 Benzonitrile, 2,3-dimethyl- XI-2





1016. 34136-59-9 1 0 0 Benzonitrile, 2-ethyl- XI-2

1017. 25550-22-5 1 0 0 Benzonitrile, methyl- XI-2

1018. 529-19-1 1 0 0 Benzonitrile, 2-methyl- XI-2


1020. 873-62-1 1 0 0 Benzonitrile, 3-hydroxy- XI-2, IX.A-22


1022. 3435-51-6 1 0 0 Benzonitrile, 4-ethenyl- XI-2


1024. 767-00-0 1 0 0 Benzonitrile, 4-hydroxy- XI-2


1026. 60484-66-4 1 0 0 Benzonitrile, 4-propyl- XI-2

1027. 1 0 0 Benzonitrile, trimethyl- XI-2

1028. 189-55-9 1 0 0 Benzo[rst]pentaphene {dibenzo[a,i]pyrene}

I.E-6

1029. 11057-45-7 1 0 0 Benzoperylene I.E-6

1030. 197-70-6 1 0 0 Benzo[b]perylene

I.E-6

40


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1031. 191-24-2 1 0 0 Benzo[ghi]perylene

I.E-6

1032. 64760-22-1 1 0 0 Benzo[ghi]perylene, dimethyl- {at least 3 isomers in MSS}

I.E-6

1033. 41699-09-6 1 0 0 Benzo[ghi]perylene, methyl- {at least 2 isomers in MSS}

I.E-6

1034. 64760-23-2 1 0 0 Benzo[ghi]perylene, trimethyl- {at least 2 isomers in MSS}

I.E-6

1035. 195-19-7 1 0 0 Benzo[c]phenanthrene

I.E-6

1036. 1 0 0 Benzo[c]phenanthrene, methyl- I.E-6

1037. 194-03-6 1 0 0 Benzo[lmn]phenanthridine {thebenidine}

N

1038. 4250-90-2 0 1 0 Benzo[g]pteridine-10(2H)-acetaldehyde, 3,4-dihydro-7,8-dimethyl-2,4-dioxo-

III-12, XVII.E-8

1039. 1086-80-2 0 1 0 Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl- N O

NH

O

N

N

H3C

H3C

H

XIV-1, XVII.E-8

1040. 1088-56-8 0 1 0 Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8,10-trimethyl- N O

NH

O

N

N

H3C

H3C

CH3

XIV-1, XVII.E-8

1041. 0 1 0 2H-1-Benzopyran-3-carboxylic acid, 6,7-dihydroxy-2-oxo-

IV.A-3, VI-3, IX.A-22

1042. 19484-74-3 0 1 0 2H-1-Benzopyran-3-carboxylic acid, 7,8-dihydroxy-2-oxo-

IV.A-3, VI-3, IX.A-22

1043. 124052-01-3 0 1 0 2H-1-Benzopyran-3,4-dione, 2-(3,4-dihydroxyphenyl)-2,5,7-trihydroxy-

II.A-5, III-13, IX.A-22, X-2

1044. 59-02-9 1 1 1 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-

[2R*(4R*,8R*)]]- {α-tocopherol} O

CH3

HO

CH3

H3C

CH3

CH2-[CH2-CH2-CH(CH3)-CH2]3-H

IX.A-22,

X-2

1045. 148-03-8 1 0 0 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)- {β-tocopherol}

IX.A-22, X-2

1046. 7616-22-0 0 1 0 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-

IX.A-22, X-2

41


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1047. 56084-94-7 0 1 0 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)- [3E,7E,11E,15E,19E,23,E,27E]

{solanochromene; solanachromene}

O

HO

CH3

H3C

CH3

CH2-[CH2-CH=C(CH3)-CH2]8-H

IX.A-22,

X-2

1048. 91-64-5 1 1 1 2H-1-Benzopyran-2-one {coumarin}

OO

VI-3

1049. 26093-31-2 0 1 0 2H-Benzopyran-2-one, 7-amino-4-methyl- VI-3, XII-2

1050. 74712-71-3 0 1 0 2H-1-Benzopyran-2-one, 7-[[6-O-(6-deoxy-α-L-

mannopyranosyl)-β-D-glucopyranosyl]oxy]-6-methoxy-

II.A-5, VI-3, VIII-3

1051. 119-84-6 1 1 1 2H-1-Benzopyran-2-one, 3,4-dihydro- {dihydrocoumarin}

VI-3

1052. 305-01-1 1 1 1 2H-1-Benzopyran-2-one, 6,7-dihydroxy- {esculetin}

VI-3, IX.A-22

1053. 60091-00-1 0 1 0 2H-1-Benzopyran-2-one, 7-[(6-O-β-D-

glucopyranosyl-β-D-glucopyranosyl)oxy]-6-methoxy-

II.A-5, VI-3, X-2

1054. 531-75-9 1 1 1 2H-1-Benzopyran-2-one, 6-(β-D-glucopyranosyloxy)-7-hydroxy- {esculin}

II.A-5, VI-3, IX.A-22, X-2

O

O

OH

HO OH

HOCH2

HO OO

1055. 531-58-8 0 1 0 2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-6-hydroxy- {cichoriin

O

O

OH

HO OH

HOCH2

HO

O O

II.A-5, VI-3, IX.A-22, X-2, XXI-3

1056. 531-44-2 0 1 0 2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-6-methoxy- {scopolin}

O

O

OH

HO OH

HOCH2

O O

H3CO

II.A-5, VI-3, X-2

1057. 93-35-6 0 1 0 2H-1-Benzopyran-2-one, 7-hydroxy-

O OHO

VI-3, IX.A-22

1058. 148-83-4 0 1 0 2H-1-Benzopyran-2-one, 7-hydroxy-6-(3,7-dimethyl-2,6-octadienyl)- {ostruthin}

HO O O

H3C

CH3 CH3 VI-3, IX.A-22

1059. 92-61-5 1 1 1 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- {scopoletin}

O O O

H3CO

H VI-3, IX.A-22, X-2, XXI-3

1060. 90-33-5 0 1 0 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl- VI-3, IX.A-22

1061. 531-59-9 0 1 0 2H-1-Benzopyran-2-one, 7-methoxy- VI-3, X-2

42


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1062. 0 1 0 2H-1-Benzopyran-2-one, 8-methoxy- VI-3, X-2

1063. 71050-53-8 0 1 0 2H-1-Benzopyran-2-one, 6-methoxy-7-(β-D-xylofuranosyloxy)-

II.A-5, VI-3, VIII-3, X-2

1064. 18309-73-4 0 1 0 2H-1-Benzopyran-2-one, 6-methoxy-7-[(6-O-β-D-

xylopyranosyl-β-D-glucopyranosyl)oxy]-

II.A-5, VI-3, VIII-3, X-2

1065. 2445-82-1 1 0 0 2H-1-Benzopyran-2-one, 3-methyl- VI-3

1066. 92-48-8

66-76-2

1 0 0 2H-1-Benzopyran-2-one, 6-methyl-

2H-1-Benzopyran-2-one, 3,3'-methylenebis[4-hydroxy- {dicumarol}

VI-3, IX.A-22

Dicumarol not detected in MSS from coumarin-treated tobacco.

1067. 4430-31-3 0 1 0 2H-1-Benzopyran-2-one, octahydro- VI-3

1068. 970-73-0 0 1 0 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-E)-

O

OH

OH

HO

HO

HO

OH

2

34 5

6

7

8

1

34

5

II.A-5, IX.A-22, X-2

1069. 970-74-1 0 1 0 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-Z)-

II.A-5, IX.A-22, X-2

1070. 124052-00-2 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-2,3,5,7-tetrahydroxy-

II.A-5, IX.A-22, X-2

1071. 21637-25-2 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-

(β-D-glucofuranosyloxy)-5,7-dihydroxy-

{isoquercitrin}

II.A-5, III-13, IX.A-22, X-2, XXI-3

1072. 117-39-5 1 1 1 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- {quercitin}

O

OH

OH

HO OOH

OH

12

34

5

6

7

II.A-5, III-13, IX.A-22, X-2


[(2-O-β-D-glucopyranosyl-D-glucopyranosyl)oxy]-5,7-dihydroxy-

II.A-5, III-13, IX.A-22, X-2

1074. 1486-70-0 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-

III-13, IX.A-22, X-2

1075. 2068-02-2 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-

III-13, IX.A-22, X-2


(β-D-glucopyranosyloxy)-3,5-dihydroxy-

{quercimeritrin}

II.A-5, III-13, IX.A-22, X-2

1077. 124051-99-6 0 1 0 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[[2-(3,4-dihydroxyphenyl)-2,3-dihydro-2,6-dihydroxy-3-oxo-4-benzofuranyl]oxy]-2,3-dihydro-3,5-dihydroxy-

III-13, IX.A-22, X-2

1078. 480-41-1 0 1 0 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)- {naringenin}

III-13, IX.A-22, X-2

43


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1079. 480-10-4 0 1 0 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- {kaempferol glycoside}

O

O

OH

HO OH

HOCH2

HO

O

O

OH

OH

II.A-5, III-13, IX.A-22, X-2

1080. 520-18-3 1 1 1 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- {kaempferol}

OHO

OH O

OH

OH

II.A-5, III-13, IX.A-22, X-2


glucopyranosyl-β-D- glucopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2


glucopyranosyl-β-D-galactopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2


glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1084. 522-12-3 0 1 0 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- {quercitrin}

II.A-5, III-13, IX.A-22, X-2

1085. 55696-57-6 0 1 0 4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-

mannopyranosyl-(1→2)-O-[6-deoxy-α-L-

mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-

II.A-5, III-13, IX.A-22, X-2

1086. 55804-74-5 0 1 0 4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-

mannopyranosyl-(1→2)-O-[6-deoxy-α-L-

mannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2


mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- {rutin}

O

HO

O

O

OH

OH

HO

ruffinose

II.A-5,III-13,IX.A-22, X-2, XXI-3


mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2


mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-

dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-

II.A-5, III-13, IX.A-22, X-2


mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

44


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1091. 29859-91-4 0 1 0 4H-1-Benzopyran-4-one, 3-[[O-(6-deoxy-L-mannosyl)-D-galactosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1092. 27554-19-4 0 1 0 4H-1-Benzopyran-4-one, 3-[[O-(6-deoxy-L-mannosyl)-D-glucosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy phenyl)-

II.A-5, III-13, IX.A-22, X-2

1093. 58934-57-9 0 1 0 4H-1-Benzopyran-4-one, 3-[[O-(6-

deoxymannosyl)glucosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1094. 828-82-0 1 0 0 4H-1-Benzopyran-4-one, 3-ethyl- III-13, X-2

1095. 520-34-3 0 1 0 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)- {diosmetin}

III-13, IX.A-22, X-2

1096. 4382-17-6 0 1 0 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-

III-13, IX.A-22, X-2

1097. 1 0 0 4H-1-Benzopyran-4-one, hydroxy- III-13, IX.A-22, X-2

1098. 38445-24-8 1 0 0 4H-1-Benzopyran-4-one, 6-hydroxy- III-13, IX.A-22, X-2


mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)- {naringin}

II.A-5, III-13, IX.A-22, X-2

1100. 0 1 0 4H-1-Benzopyran-4-one, 2-phenyl-, 3',4',5,5',7-pentahydroxy-3-[[O-(6-deoxymannosyl)-D-glucosyl]oxy]-

II.A-5, III-13, IX.A-22, X-2

1101. 0 1 0 4H-1-Benzopyran-4-one, 2-phenyl-, 3',4',5,7-tetrahydroxy-3-[[O-(6-deoxymannosyl)-D-glucosyl]oxy]-

II.A-5, III-13, IX.A-22, X-2

1102. 0 1 0 7H-1-Benzopyran-7-one, 2,4a,5,6,8,8a-hexahydro-2,5,5,8a-tetramethyl-

III-13, X-2

1103. 20194-67-6 1 1 1 7H-1-Benzopyran-7-one, 2,3,5,6,8,8a-hexahydro-2,5,5,8a-tetramethyl-

{1,5,5,9-tetramethyl-10-oxabicyclo[4.4.0]dec-6-en-3-one}

O O1

2

3

4

56

7

8

4a

8a

III-13, X-2

1104. 5835-18-7 1 1 1 7H-1-Benzopyran-7-one, octahydro-2,5,5,8a-tetramethyl-

{7-chromanone, hexahydro-2,5,5,8a-tetramethyl-} O O1

2

3

4

56

7

8

4a

8a

III-13, X-2

1105. 83-79-4 0 1 0 Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2α,6aα,12aα)]- {Rotenone®}

OCH3

OCH3

O

O

H3C

O

O

H

H

CH2

III-13, X-2,

XXI-3

1106. 1 0 0 Benzopyrene I.E-6

1107. 50-32-8 1 1 1 Benzo[a]pyrene {B[a]P} 1

2

3

4

567

8

9

10

11

12

I.E-6

45


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1108. 1 0 0 Benzo[a]pyrene, alkyl- I.E-6

1109. 1 0 0 Benzo[a]pyrene, 3,4-dihydro- I.E-6

1110. 17573-23-8 1 0 0 Benzo[a]pyrene, 7,8-dihydro-

I.E-6

1111. 25167-90-2 1 0 0 Benzo[a]pyrene, dimethyl- {at least 2 isomers in MSS}

I.E-6

1112. 1 0 0 Benzo[a]pyrene, ethyl- I.E-6

1113. 25167-89-9 1 0 0 Benzo[a]pyrene, methyl- {at least 2 isomers in MSS}

I.E-6

1114. 69453-35-6 1 0 0 Benzo[a]pyrenediol IX.A-22

1115. 63455-19-6 1 0 0 Benzo[a]pyrenol IX.A-22

1116. 20928-82-9 1 0 0 Benzo[a]pyren-6-yloxy IX.A-22

1117. 7130-15-6 1 0 0 3H-Benzo[cd]pyrene, 4,5-dihydro-

I.E-6

1118. 192-97-2 1 1 1 Benzo[e]pyrene {B[e]P}

I.E-6

1119. 41699-06-3 1 0 0 Benzo[e]pyrene, dimethyl- {at least 2 isomers in MSS}

I.E-6

1120. 41699-04-1 1 0 0 Benzo[e]pyrene, methyl- {at least 2 isomers in MSS}

I.E-6

1121. 64760-21-0 1 0 0 Benzo[e]pyrene, trimethyl- I.E-6

1122. 30907-88-1 0 1 0 6H-Benzo[c]pyrido[3,2,1-jk]carbazole

N

XVII.E-6

1123. 528-58-5 0 1 0 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride

IX.A-22, X-2, XVIII.B-3

1124. 22688-80-8 0 1 0 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-O-

β-D-glucopyranosyl-D-glucopyranosyl)oxy]-5,7-dihydroxy-, chloride

II.A-5, IX.A-22, X-2, XVIII.B-3

1125. 528-53-0 0 1 0 1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride

II.A-5, IX.A-22, XVIII.B-3

1126. 18719-76-1 0 1 0 1-Benzopyrylium, 3-[6-O-(6-deoxy-α-L-

mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4- dihydroxyphenyl)-5,7-dihydroxy-, chloride


1127. 33978-17-5 0 1 0 1-Benzopyrylium, 3-[6-O-(6-deoxy-α-L-

mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride


1128. 39327-16-7 1 0 0 Benzoquinoline {benzo[g]quinoline}

N

ab

cdef

g

XVII.E-6

1129. 1 0 0 Benzoquinoline, dimethyl- XVII.E-6

46


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1130. 1 0 0 Benzoquinoline, methyl- XVII.E-6

1131. 1 0 0 Benzoquinoline, tetramethyl- XVII.E-6

1132. 1 0 0 Benzoquinoline, trimethyl- XVII.E-6

1133. 1 0 0 Benzo[c]quinoline

{phenanthridine; 9-azaphenanthrene}

XVII.E-6

1134. 85-02-9 1 0 0 Benzo[f]quinoline {1-azaphenanthrene}

XVII.E-6

1135. 230-27-3 1 0 0 Benzo[h]quinoline {4-azaphenanthrene}

XVII.E-6

1136. 1 0 0 o-Benzosemiquinone radical XXVII-1

1137. 1 0 0 p-Benzosemiquinone radical XXVII-1

1138. 95-16-9 1 1 1 Benzothiazole {benzosulfonazole}

S

N

XVIII.A-1

1139. 120-78-5 0 1 0 Benzothiazole, 2,2’-dithiobis- {Thiofide®} N

S-

S_

_

_2

_

XVIII.A-1, XXI-3

1140. 615-22-5 0 1 0 Benzothiazole, 2-methylthio- XVIII.A-1

1141. 934-34-9 0 1 0 2(3H)-Benzothiazolone

S

N

O

H

XVIII.A-1

1142. 1128-67-2 1 0 0 2(3H)-Benzothiazolone, 3-methyl-, hydrazone XVIII.A-1

1143. 95-15-8 1 0 0 Benzo[b]thiophene

S

XVIII.A-1

1144. 1 0 0 Benzo[b]thiophene, C2-alkyl- XVIII.A-1

1145. 1 0 0 Benzo[b]thiophene, C3-alkyl- XVIII.A-1

1146. 1 0 0 Benzo[b]thiophene, methyl- {4 isomers reported} XVIII.A-1

1147. 14315-11-8 1 0 0 Benzo[b]thiophene, 4-methyl- XVIII.A-1

1148. 95-14-7 1 0 0 1H-Benzotriazole {1,2,3-triaza-1H-indene} NH

N

N

XVII.E-6

1149. 215-58-7 1 0 0 Benzo[b]triphenylene {dibenz[a,c]anthracene}

I.E-6

1150. 64760-20-9 1 0 0 Benzo[b]triphenylene, methyl- I.E-6

47


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1151. 17924-92-4 0 1 0 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, [S-(E)]-

II.A-5

1152. 273-53-0 1 0 0 Benzoxazole {1-oxa-3-azaindene}

O

N

1

2

34

5

6

7

XVII.D-2

1153. 1 0 0 Benzoxazole, C2-alkyl- XVII.D-2

1154. 72692-90-1 1 0 0 Benzoxazole, 2,4-dimethyl- XVII.D-2




1158. 78210-57-8 1 0 0 Benzoxazole, 7-ethyl- XVII.D-2

1159. 95-21-6 1 0 0 Benzoxazole, 2-methyl- XVII.D-2

1160. 27548-56-7 0 1 0 3-Benzoxepin-7-methanol, 5a,6,7,8,9,9a-

hexahydro-α,α,5,9a-tetramethyl-, (5aα,7α,9aα)-(-)-

II.A-5, X-2

1161. 7440-41-7 1 1 1 Beryllium Be XX-5

1162. 434-85-5 1 0 0 [9,9'-Bianthracene]-10,10'(9H,9'H)-dione {bianthrone; dianthraquinone}

2

3

45

6

7

8 1

9

O

O

III-13

1163. 121-46-0 0 1 0 Bicyclo[2.2.1]hepta-2,5-diene {norbornadiene}

I.C-1

1164. 79-92-5 1 1 1 Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- {camphene}

I.C-1

1165. 8001-35-2 0 1 0 Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, polychlorinated {Toxaphene®}

XVIII.B-3, XXI-3

1166. 8001-50-1 0 1 0 Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, polychlorinated + Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, polychlorinated {Strobane®; Dichloricide®}

XVIII.B-3, XXI-3

1167. 509-11-5 0 1 0 Bicyclo[2.2.1]heptan-2-ol, 1,7-dimethyl-, (exo,anti)- II.A-5

1168. 507-70-0 1 1 1 Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, endo- {borneol}

CH3

OH

__ CH3H3C

II.A-5

1169. 125-12-2 0 1 0 Bicyclo[2,2,1]heptan-2-ol, 1,7,7-trimethyl-, acetate {isobornyl acetate}

V-3

1170. 2756-56-1 0 1 0 Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-

V-3

1171. 1195-79-5 0 1 0 Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl- III-13

1172. 4695-62-9 0 1 0 Bicyclo[2,2,1]heptan-2-one, 1,3,3-trimethyl- {d-fenchone}

III-13

48


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1173. 76-22-2 0 1 0 Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl- {camphor}

CH3

__ CH3H3C

O

III-13

1174. 498-66-8 1 0 0 Bicyclo[2.2.1]hept-2-ene {norbornene}

I.C-1

1175. 127-91-3

18172-67-3

1 1 1 Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-

{β-pinene}

I.C-1

1176. 22422-24-0 0 1 0 Bicyclo[3,1,1]heptane-2,3-diol, 2,6,6-trimethyl- {2,3-pinanediol}

HO

HO

II.A-5

1177. 80-56-8

7785-26-4

1 1 1 Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-

{α-pinene}

I.C-1

1178. 4889-83-2 0 1 0 Bicyclo[3.1.1]hept-2-ene, 3,6,6-trimethyl- I.C-1

1179. 515-00-4 0 1 0 Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-

CH2OH

CH3

CH3

II.A-5

1180. 3387-41-5 0 1 0 Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- {sabinene}

I.C-1

1181. 471-16-9 0 1 0 Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-

methylethyl)-, [1S-(1α,3β,5α)]- {sabinol}

II.A-5

1182. 2867-05-2 0 1 0 Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- {3-thujene}

I.C-1

1183. 3917-48-4 0 1 0 Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-, (1R)-

I.C-1

1184. 92-51-3 1 1 1 1,1'-Bicyclohexyl {cyclohexylcyclohexane}

I.C-1

1185. 280-65-9 1 0 0 Bicyclo[3.3.1]nonane

I.C-1

49


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1186. 124749-69-5 1 0 0 Bicyclo[3.3.1]nonan-3-one, 1-hydroxy-6-(1-methylethyl)-, endo-

O

OH

CH3

H3C

II.A-5, III-13

1187. 123695-64-7 1 0 0 Bicyclo[3.3.1]nonan-3-one, 1-hydroxy-6-(1-methylethyl)-, exo-

II.A-5, III-13

1188. 61185-25-9 0 1 0 Bicyclo[3.3.1]non-6-en-2-one, 4,4,9-trimethyl-8-methylene-, anti-

H3C

CH3

OH2C

1 2

3

4

5

7

8

6

H3C 9

III-13

1189. 0 1 0 Bicyclo[3.3.1]non-6-en-2-one, 4,9,9-trimethyl-8-methylene-

III-13

1190. 13466-78-9 0 1 0 Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- I.C-1

1191. 87-44-5 0 1 0 Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-

methylene-, [1R-(1R*,4E,9S*)]- {β-caryophyllene}

CH3

CH3

CH3

H2C

8

4

1

2

35

6

7

9

1011

I.C-1

1192. 32214-91-8 0 1 0 Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-

methylene-, acetate {β-caryophyllene acetate}

V-3

1193. 53093-94-0 0 1 0 2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-, (Z)- (±)-

X-2

1194. 53093-95-1 0 1 0 2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1-methylethenyl)-, (E)- (±)-

X-2

1195. 53093-96-2 0 1 0 2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1-

methylethyl)-, (Z)- (±)-

X-2

1196. 53093-97-3 0 1 0 2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1-methylethyl)-, (E)- (±)-

X-2

1197. 20298-86-6 0 1 0 21H-Biline-8,12-dipropanoic acid, 18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E)-

O

H3C CH

H3C

CH3

CH2

CH3 CH3 C2H5

CH

CH2

NH

NH

ONH

NH

(CH2)2(CH2)2

COOHHOOC

1

3

45

6

7 8

9 10

2

11

12 13

1415 16

17

19

18

IV.A-3, XVII.C-1

1198. 604-53-5 1 0 0 1,1'-Binaphthalene

I.E-6

1199. 71265-39-9 1 0 0 1,1'-Binaphthalene, dimethyl- I.E-6

1200. 71277-81-1 1 0 0 1,1'-Binaphthalene, ethyl- I.E-6

1201. 59615-45-5 1 0 0 1,1’-Binaphthalene, methyl- I.E-6

1202. 1 0 0 1,2’-Binaphthalene I.E-6

50


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1203. 612-78-2 1 0 0 2,2'-Binaphthalene

I.E-6

1204. 71294-43-4 1 0 0 2,2'-Binaphthalene, dimethyl- I.E-6

1205. 71277-82-2 1 0 0 2,2'-Binaphthalene, ethyl- I.E-6

1206. 41637-91-6 1 0 0 2,2'-Binaphthalene, methyl- I.E-6

1207. 92-52-4 1 1 1 1,1'-Biphenyl {diphenyl} 2'3'

4'

5' 6'

1' 1

2 3

4

56

I.D-1

1208. 2051-24-3 1 1 1 1,1'-Biphenyl, decachloro- XVIII.B-3

1209. 92-87-5 1 0 0 1,1’-Biphenyl, 4,4’-diamino- XII-2

1210. 61141-66-0 0 1 0 1,1’-Biphenyl, 3,4-diethyl- I.D-1

1211. 1133-63-7 1 0 0 1,1’-Biphenyl, 2,3-dihydroxy- IX.A-22

1212. 0 1 0 1,1'-Biphenyl, 3,4'-dimethyl- I.D-1

1213. 613-33-2 1 0 0 1,1'-Biphenyl, 4,4'-dimethyl- I.D-1

1214. 28013-11-8 1 1 1 1,1'-Biphenyl, ar,ar'-dimethyl- I.D-1

1215. 40529-66-6 1 0 0 1,1'-Biphenyl, ethyl- I.D-1

1216. 1 0 0 1,1'-Biphenyl, 2-ethyl- I.D-1

1217. 71277-83-3 1 0 0 1,1'-Biphenyl, ethylmethyl- I.D-1

1218. 28652-72-4 1 1 1 1,1'-Biphenyl, methyl- I.D-1

1219. 643-58-3 1 0 0 1,1'-Biphenyl, 2-methyl- I.D-1



1222. 92-93-3 1 0 0 1,1'-Biphenyl, 4-nitro- XVI-1

1223. 71294-42-3 1 0 0 1,1'-Biphenyl, propyl- I.D-1

1224. 30581-97-6 1 0 0 1,1'-Biphenyl, trimethyl- {3 isomers detected} I.D-1

1225. 90-41-5 1 0 0 [1,1'-Biphenyl]-2-amine XII-2

1226. 2243-47-2 1 0 0 [1,1'-Biphenyl]-3-amine XII-2

1227. 92-67-1 1 0 0 [1,1'-Biphenyl]-4-amine {4-aminobiphenyl} XII-2

1228. 1 0 0 [1,1'-Biphenyl]-ol IX.A-22

1229. 90-43-7 1 0 0 [1,1'-Biphenyl]-2-ol IX.A-22

1230. 92-69-3 1 0 0 [1,1'-Biphenyl]-4-ol IX.A-22

1231. 259-79-0 1 0 0 Biphenylene

I.E-6

1232. 531-67-9 0 1 0 2,2’-Bipiperidine

NH

NH

XVII.B-6

1233. 37275-48-2 1 0 0 Bipyridine XVII.B-6

1234. 78310-61-9 1 0 0 Bipyridine, dimethyl- {2 isomers detected} XVII.B-6

1235. 64859-48-9 1 0 0 Bipyridine, ethyl- XVII.B-6

1236. 64859-47-9 1 0 0 Bipyridine, methyl- {4 isomers in all} XVII.B-6

1237. 64859-47-8 1 0 0 Bipyridine, methyl- XVII.B-6

51


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1238. 78310-62-0 1 0 0 Bipyridine, phenyl- XVII.B-6

1239. 366-18-7 1 1 1 2,2'-Bipyridine {nicoteine} XVII.B-6

1240. 1 0 0 2,2’-Bipyridine, amino- XVII.B-6

1241. 78210-73-8 1 0 0 2,2'-Bipyridine, 4,5-dimethyl- XVII.B-6

1242. 56100-19-7 1 0 0 2,2'-Bipyridine, 4-methyl- XVII.B-6

1243. 581-50-0 1 1 1 2,3'-Bipyridine {isonicoteine}

N

N

3

4

5

6

2'

4'

5'

6'

XVII.B-6

1244. 1 0 0 2,3'-Bipyridine, dimethyl- XVII.B-6

1245. 1 0 0 2,3'-Bipyridine, methyl- XVII.B-6

1246. 2743-90-0 0 1 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (±)- XVII.B-6

1247. 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (R)- {d-anatabine}

XVII.B-6

1248. 581-49-7 1 1 1 2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (S)- {l-anatabine}

N

NH

XVII.B-6

1249. 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-ethyl- XVII.B-6

1250. 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-methyl- XVII.B-6

1251. 61892-64-6 1 1 1 2,3'-Bipyridine, 1-acetyl-1,2,3,6-tetrahydro-, (S)- {N’-acetylanatabine}

N

N

CO-CH3

XVII.B-6

1252. 5953-51-5 1 1 1 2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-methyl-, (S)- XVII.B-6

1253. 96552-71-5 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-(1-oxohexyl)-, (S)- {N’-hexanoylanatabine}

XVII.B-6

1254. 96552-72-6 1 0 0 2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-(1-oxooctyl)-, (S)- {N’-octanoylanatabine}

XVII.B-6

1255. 71267-22-6 1 1 1 2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-nitroso-, (S)- {NAT}

XV-8, XVII.B-6

1256. 61892-98-6 1 0 0 2,3'-Bipyridine, 1-ethyl-1,2,3,6-tetrahydro-, (S)- XVII.B-6

1257. 26636-59-9 1 0 0 2,3'-Bipyridine, 2'(or 3)-methyl- XVII.B-6

1258. 78210-76-1 1 0 0 2,3'-Bipyridine, 3-ethyl- XVII.B-6

1259. 78210-75-0 1 0 0 2,3'-Bipyridine, 4-(2-butenyl)- XVII.B-6

1260. 78210-74-9 1 0 0 2,3'-Bipyridine, 4-(2-propenyl)- XVII.B-6


1262. 20410-87-1 0 1 0 2,3'-Bipyridine, 5-(1-methyl-2-piperidinyl)-, (+)- XVII.B-6

1263. 0 1 0 2,3'-Bipyridine, 5-(2-piperidinyl)- {anabasamine} XVII.B-6

1264. 78210-79-4 1 0 0 2,3'-Bipyridine, 5-(1-propenyl)- XVII.B-6

1265. 78210-81-8 1 0 0 2,3'-Bipyridine, 5-ethenyl- XVII.B-6

52


CAS No.

S

T

S

T


Selected structures

Chapter

Table



1268. 78210-80-7 1 0 0 2,3'-Bipyridine, 5-propyl- XVII.B-6



1271. 61892-65-7 1 1 1 [2,3'-Bipyridine]-1(2H)-carboxaldehyde, 3,6-dihydro-, (S)- {N’-formylanatabine}

III-12, XVII.B-6

1272. 96552-70-4 1 0 0 [2,3'-Bipyridine]-1(2H)-carboxylic acid, 3,6-dihydro-, methyl ester, (S)-

V-3, XVII.B-6

1273. 70898-21-4 1 0 0 [2,3'-Bipyridin]-6'(1'H)-one, 3,4,5,6-tetrahydro- XVII.B-6, XVII.C-1

1274. 581-47-5 1 1 1 2,4'-Bipyridine XVII.B-6






1280. 7440-69-9 1 1 1 Bismuth Bi XX-5

1281. 14331-79-4 1 1 1 Bismuth, isotope of mass 210 210

Bi XX-5

1282. 0 1 0 Bismuth, isotope of mass 216 216

Bi XX-5

1283. 7440-42-8 1 1 1 Boron B XX-5

1284. 24959-67-9 1 1 1 Bromide Br-1 XVIII.B-3, XX-5

1285. 7726-95-6 1 1 1 Bromine Br2 XVIII.B-3, XX-5

1286. 14686-69-2 1 1 1 Bromine, isotope of mass 82 82

Br2 XVIII.B-3, XX-5

1287. 25339-57-5 1 0 0 Butadiene I.B-1

1288. 1 0 0 Butadiene radical XXVII-1

1289. 590-19-2 1 0 0 1,2-Butadiene H2C=C=CH-CH3 I.B-1

1290. 106-99-0 1 0 0 1,3-Butadiene H2C=CH-CH=CH2 I.B-1

1291. 78-79-5 1 0 0 1,3-Butadiene, 2-methyl- {isoprene} H2C=C(CH3)-CH=CH2 I.B-1

1292. 1 0 0 1,3-Butadiene, 2-methyl- radical

{isoprene radical}

XXVII-1

1293. 1 0 0 1,3-Butadiene, 1,2,4-trialkyl-

1,3-Butadiene, 2-(4’,8’,12’-trimethyltridecyl)-

R-CH=C(R1)-CH=CH-R2 I.B-1

See: 1-Hexadecene, 3-methylene-7,11,15-trimethyl-

1294. 460-12-8 1 0 0 1,3-Butadiyne HC≡C-C≡CH I.B-1

1295. 123-72-8 1 1 1 Butanal {butyraldehyde} H3C-(CH2)2-CH=O III-12

1296. 0 1 0 Butanal, 4-amino- H2N-(CH2)3-CH=O III-12, XII-2

1297. 34764-22-2 1 0 0 Butanal, 3,4-dihydroxy- HOCH2-CHOH-CH2-CH=O II.A-5, III-12

1298. 2109-98-0 1 0 0 Butanal, 2,3-dimethyl- III-12

1299. 97-96-1 1 1 1 Butanal, 2-ethyl- {diethylacetaldehyde} (C2 H5)2=CH-CH=O III-12

1300. 107-89-1 1 0 0 Butanal, 3-hydroxy- {aldol} H3C-CHOH-CH2-CH=O II.A-5, III-12

1301. 0 1 0 Butanal, 3-hydroxy-2-oxo- {methylreductone} H3C-CHOH-CO-CH=O II.A-5, III-12, III-13

1302. 25714-71-0 1 0 0 Butanal, 4-hydroxy- HO-(CH2)3-CH=O II.A-5, III-12

1303. 1 0 0 Butanal, 4-(2-hydroxyethoxy)- HO-CH2CH2-O-(CH2)3-CH=O II.A-5, III-12, X-2

53


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1304. 96-17-3 1 1 1 Butanal, 2-methyl- {2-methylbutyraldehyde} H3C-CH2-CH(CH3)-CH=O III-12

1305. 590-86-3 1 1 1 Butanal, 3-methyl-

{3-methylbutyraldehyde; isovaleraldehyde}

(H3C)2=CH-CH2-CH=O III-12

1306. 7729-27-3 0 1 0 Butanal, 4-(methylamino)- H3C-NH-(CH2)3-CH=O III-12

1307. 0 1 0 Butanal, 2-methyl-4-phenyl- C5H6-(CH2)2-CH(CH3)-CH=O III-12

1308. 4417-81-6 1 0 0 Butanal, 2-oxo- {ethylglyoxal} H3C-CH2-CO-CH=O III-12, III-13

1309. 1758-51-6 0 1 0 Butanal, 2,3,4-trihydroxy-, (R*,R*)- {erythrose} HOCH2-(CHOH)2-CH=O II.A-5, III-12

1310. 541-35-5 1 0 0 Butanamide H3C-(CH2)2-CO-NH2 XIII-1

1311. 66309-91-9 1 0 0 Butanamide, 2,3-dimethyl- (H3C)2=CH-CH(CH3)-CO-NH2 XIII-1

1312. 1113-57-1 1 0 0 Butanamide, 2-methyl- H3C-CH2-CH(CH3)-CO-NH2 XIII-1

1313. 61892-66-8 1 0 0 Butanamide, 3-cyano-3-methyl- (H3C)2=C(CN)-CH2-CO-NH2 XIII-1

1314. 541-46-8 1 0 0 Butanamide, 3-methyl- (H3C)2=CH-CH2-CO-NH2 XIII-1

1315. 53897-27-1 1 0 0 Butanamide, 4-cyano- NC-(CH2)3-CO-NH2 XI-2, XIII-1

1316. 109-73-9 1 1 1 1-Butanamine H3C-(CH2)3-NH2 XII-2

1317. 71277-84-4 1 0 0 1-Butanamine, methyl- XII-2

1318. 96-15-1 1 0 0 1-Butanamine, 2-methyl- H3C-CH2-CH(CH3)-CH2-NH2 XII-2

1319. 107-85-7 1 1 1 1-Butanamine, 3-methyl- (H3C)2=CH-(CH2)2-NH2 XII-2

1320. 78579-58-5 1 1 1 1-Butanamine, 3-methyl-N-propyl- (H3C)2=CH-(CH2)2-NH-(CH2)2-CH3 XII-2

1321. 111-92-2 0 1 0 1-Butanamine, N-butyl- [H3C- (CH2)3]2=NH XII-2

1322. 924-16-3 1 0 0 1-Butanamine, N-butyl-N-nitroso- {NDBA} [H3C- (CH2)3]2=N-NO XII-2, XV-8

1323. 110-68-9 1 1 1 1-Butanamine, N-methyl- H3C-(CH2)3-NH-CH3 XII-2

1324. 7068-83-9 1 0 0 1-Butanamine, N-methyl-N-nitroso- H3C-(CH2)3-N(NO)-CH3 XII-2, XV-8

1325. 1 0 0 1-Butanamine, N-(1-methylethyl)- H3C-(CH2)3-NH-CH=(CH3)2 XII-2

1326. 56375-33-8 1 0 0 1-Butanamine, N-nitroso- H3C-(CH2)3-NH-NO XII-2, XV-8

1327. 20810-06-4 1 0 0 1-Butanamine, N-(2-methylpropyl)- H3C-(CH2)3-NH-CH2-CH=(CH3)2 XII-2

1328. 4104-44-3 0 1 0 1-Butanamine, N,3-dimethyl- (H3C)2=CH-(CH2)2-NH-CH3 XII-2

1329. 13952-84-6 1 1 1 2-Butanamine H3C-CH2-CH(NH2)-CH3 XII-2

1330. 1 0 0 2-Butanamine, N-methyl- H3C-CH2-CH(NH-CH3)-CH3 XII-2

1331. 626-23-3 0 1 0 2-Butanamine, N-(1-methylpropyl)- XII-2

1332. 106-97-8 1 0 0 Butane H3C-(CH2)2-CH3 1.A-10

1333. 75-83-2 1 0 0 Butane, 2,2-dimethyl- (H3C)3≡C-CH2-CH3 1.A-10

1334. 1 0 0 Butane, methyl- C4H9-CH3 1.A-10

1335. 78-78-4 1 1 1 Butane, 2-methyl- (H3C)2=CH-CH2-CH3 1.A-10

1336. 628-29-5 1 0 0 Butane, 1-(methylthio)- {butyl methyl sulfide} H3C-S-(CH2)3-CH3 XVIII.A-1

1337. 627-05-4 1 0 0 Butane, 1-nitro- H3C-(CH2)2-CH2-NO2 XVI-1

1338. 600-24-8 1 0 0 Butane, 2-nitro- H3C-CH2-CH(NO2)-CH3 XVI-1

1339. 1613-46-3 1 0 0 Butane, 1-(propylthio)- H3C-(CH2)2-S-(CH2)3-CH3 XVIII.A-1

1340. 544-40-1 1 0 0 Butane, 1,1'-thiobis- {dibutyl sulfide} H3C-(CH2)3-S-(CH2)3-CH3 XVIII.A-1

1341. 638-37-9 1 0 0 Butanedial {succinaldehyde} O=CH-(CH2)2-CH=O III-12

1342. 110-14-5 1 0 0 Butanediamide {succinamide} H2N-CO-(CH2)2-CO-NH2 XIII-1

1343. 16748-73-5 0 1 0 Butanediamide, 2-amino-, (S)- {asparagine amide} H2N-CO-CH2-CH(NH2)-CO-NH2XII-2, XIII-1

1344. 110-60-1 0 1 0 1,4-Butanediamine {putrescine} H2N-(CH2)4-NH2 XII-2

54


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1345. 124-20-9 0 1 0 1,4-Butanediamine, N-(3-aminopropyl)-

{spermidine}

H2N-(CH2)4-NH-(CH2)3-NH2 XII-2

1346. 71-44-3 0 1 0 1,4-Butanediamine, N,N'-bis(3-aminopropyl)- {spermine}

H2N-(CH2)3-NH-(CH2)4-NH-(CH2)3-NH2 XII-2

1347. 15657-58-6 0 1 0 1,4-Butanediamine, 2-methyl- H2N-(CH2)2-CH(CH3)-CH2-NH2 XII-2

1348. 14475-60-6 0 1 0 1,4-Butanediamine, N-methyl- H2N-(CH2)4-NH-CH3 XII-2

1349. 0 1 0 1,4-Butanediamine, 3-phenylpropenoyl- {cinnamoylputrescine}

V-3, XII-2

1350. 110-61-2 1 0 0 Butanedinitrile {succinonitrile} NC-(CH2)2-CN XI-2

1351. 16411-13-5 0 1 0 Butanedinitrile, 2,3-dimethyl- NC-CH(CH3)-CH(CH3)-CN XI-2

1352. 1 1 1 Butanedioate, hydroxy- {malate} II.A-5, XX-6

1353. 110-15-6 1 1 1 Butanedioic acid {succinic acid} HOOC-(CH2)2-COOH IV.A-3

1354. 121-75-5 1 1 1 Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester {Malathion®}

(H3CO)2=P=S

│

S

│

HC-COO-C2H5

│

H2C-COO-C2H5

V-3, XVIII.A-1,

XXI-3

1355. 106-65-0 1 1 1 Butanedioic acid, dimethyl ester

{dimethyl succinate}

H3C-OOC-(CH2)2-COO-CH3 V-3

1356. 6915-15-7 1 1 1 Butanedioic acid, hydroxy- {malic acid} HOOC-CHOH-CH2-COOH II.A-5, IV.A-3

1357. 1 1 1 Butanedioic acid, hydroxy-, labeled with 14

C {malic acid-

14C}

XXV-29

1358. 1587-15-1 1 0 0 Butanedioic acid, hydroxy-, dimethyl ester

{dimethyl malate; malic acid dimethyl ester}

H3C-OOC-CHOH-CH2-COO-CH3

II.A-5, V-3

1359. 585-09-1 0 1 0 Butanedioic acid, hydroxy-, dipotassium salt KOOC-CHOH-CH2-COOK II.A-5, XX-6

1360. 71608-04-3 1 0 0 Butanedioic acid, (hydroxymethylene)- II.A-5, IV.A-3

1361. 498-21-5 1 0 0 Butanedioic acid, methyl- HOOC-CH(CH3)-CH2-COOH IV.A-3

1362. 636-60-2 1 0 0 Butanedioic acid, methyl-, (±)- IV.A-3

1363. 97-65-4 1 1 1 Butanedioic acid, methylene- {itaconic acid} HOOC-C(=CH2)-CH2-COOH IV.A-3

1364. 2338-45-6 0 1 0 Butanedioic acid, (1-methylethyl)- IV.A-3

1365. 3878-55-5 1 0 0 Butanedioic acid, monomethyl ester HOOC-(CH2)2-COO-CH3 IV.A-3, V-3

1366. 328-42-7 0 1 0 Butanedioic acid, oxo- {oxalacetic acid} HOOC-CO-CH2-COOH IV.A-3

1367. 3237-44-3 0 1 0 Butanedioic acid, 2-hydroxy-2-(1-methylethyl)- II.A-5, IV.A-3

1368. 18734-79-7 0 1 0 Butanedioic acid, 2-methyl-3-phenyl- IV.A-3

1369. 35392-77-9 0 1 0 Butanedioic acid, 2,3-diethyl-, (R*,R*)-(±)-

{succinic acid, 2,3-diethyl-}

HOOC-CH(C2H5)-CH(C2H5)-COOH

IV.A-3

1370. 526-83-0 1 1 1 Butanedioic acid, 2,3-dihydroxy- {tartaric acid} HOOC-CHOH-CHOH-COOH

II.A-5, IV.A-3

1371. 147-71-7 0 1 0 Butanedioic acid, 2,3-dihydroxy- {d-tartaric acid}

II.A-5, IV.A-3

1372. 87-69-4 0 1 0 Butanedioic acid, 2,3-dihydroxy- {l-tartaric acid}

II.A-5, IV.A-3

55


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1373. 133-37-9 0 1 0 Butanedioic acid, 2,3-dihydroxy- {dl-tartaric acid}

II.A-5, IV.A-3

1374. 147-73-9 0 1 0 Butanedioic acid, 2,3-dihydroxy- {meso-tartaric acid}

II.A-5, IV.A-3

1375. 921-53-9 0 1 0 Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dipotassium salt

II.A-5, XX-6

1376. 13545-04-5 0 1 0 Butanedioic acid, 2,3-dimethyl-

{succinic acid, 2,3-dimethyl-}

HOOC-CH(CH3)-CH(CH3)-COOH IV.A-3

1377. 52642-07-6 1 0 0 Butanediol, monoacetate II.A-5, V-3

1378. 107-88-0 1 1 1 1,3-Butanediol {1,3-butylene glycol} H3C-CHOH-CH2-CH2OH II.A-5

1379. 110-63-4 0 1 0 1,4-Butanediol {tetramethylene glycol} HOCH2-(CH2) 2-CH2OH II.A-5

1380. 513-85-9 1 1 1 2,3-Butanediol H3C-CHOH-CHOH-CH3 II.A-5

1381. 5341-95-7 1 0 0 2,3-Butanediol, (R*,S*)- II.A-5

1382. 431-03-8

29350-67-2

1 1 1 2,3-Butanedione {diacetyl; biacetyl} H3C-CO-CO-CH3 III-13

1383. 109-74-0 1 0 0 Butanenitrile H3C-(CH2) 2-CN XI-2

1384. 13989-82-7 1 0 0 Butanenitrile, 4-(dimethylamino)- (H3C)2=N-(CH2)3-CN XI-2, XII-2

1385. 4476-02-2 1 0 0 Butanenitrile, 2-hydroxy- H3C-CH2-CHOH-CN II.A-5, XI-2

1386. 15344-34-0 1 0 0 Butanenitrile, 2-hydroxy-3-methyl- (H3C)2=CH-CHOH-CN II.A-5, XI-2

1387. 18937-17-9 1 0 0 Butanenitrile, 2-methyl- H3C-CH2-CH(CH3)-CN XI-2

1388. 625-28-5 1 1 1 Butanenitrile, 3-methyl- (H3C)2=CH-CH2-CN XI-2

1389. 149-32-6 1 1 1 1,2,3,4-Butanetetrol, (R*,S*)- {erythritol} HOCH2-(CHOH) 2-CH2OH II.A-5

1390. 68510-02-1 0 1 0 1,2,3,4-Butanetetrol, 1-[5-(2,3,4-trihydroxybutyl)pyrazinyl]-

{2,5-deoxyfructosazine}

N

N

R

R

OH R = HOCH2-(CHOH)2-

II.A-5, XVII.B-2

1391. 68510-03-2 0 1 0 1,2,3,4-Butanetetrol, 1-[6-(2,3,4-trihydroxybutyl)pyrazinyl]-

{2,6-deoxyfructosazine}

N

N

R

OH

R

R = HOCH2-(CHOH)2-

II.A-5, XVII.B-2

1392. 109-79-5 1 0 0 1-Butanethiol {butyl mercaptan} H3C-(CH2)3-SH XVIII.A-1

1393. 541-31-1 1 0 0 1-Butanethiol, 3-methyl- (H3C)2=CH-(CH2)2-SH XVIII.A-1

1394. 513-53-1 1 0 0 2-Butanethiol H3C-CH2-CH(SH)-CH3 XVIII.A-1

1395. 4435-50-1 1 0 0 1,2,3-Butanetriol {1-methylglycerol} H3C-CHOH-CHOH-CH2OH II.A-5

1396. 3068-00-6 0 1 0 1,2,4-Butanetriol H2COH-CHOH-CH2-CH2OH II.A-5

1397. 1 1 1 Butanimine H3C-(CH2)2-CH=NH XII-2

1398. 107-92-6 1 1 1 Butanoic acid {butyric acid} H3C-(CH2)2-COOH IV.A-3

1399. 109-21-7 0 1 0 Butanoic acid, butyl ester H3C-(CH2) 2-COO-(CH2)3-CH3 V-3

1400. 10094-34-5 0 1 0 Butanoic acid, 1,1-dimethyl-2-phenylethyl ester V-3

1401. 106-29-6 0 1 0 Butanoic acid, 3,7-dimethyl-2,6-octadien-1-yl ester {geranyl butyrate}

V-3

1402. 105-54-4 1 1 1 Butanoic acid, ethyl ester {ethyl butyrate} H3C-(CH2)2-COO-C2H5 V-3

1403. 26912-31-2 0 1 0 Butanoic acid, hexenyl ester H3C-(CH2)2-COO-(CH2)4-n-CH=CH-(CH2)n-H

V-3

56


CAS No.

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T

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Selected structures

Chapter

Table

1404. 623-42-7 0 1 0 Butanoic acid, methyl ester H3C-(CH2)2-COO-CH3 V-3

1405. 5398-90-2 0 1 0 Butanoic acid, 2-methylpropyl ester V-3

1406. 540-18-1 0 1 0 Butanoic acid, pentyl ester H3C-(CH2)2-COO-(CH2)4-CH3 V-3

1407. 103-37-7 1 1 1 Butanoic acid, phenylmethyl ester {benzyl butyrate}

H3C-(CH2) 2-COO-CH2-C6H5 V-3

1408. 80-60-4 1 1 1 Butanoic acid, 2-amino- H3C-CH2-CH(NH2)-COOH IV.A-3, XII-2

1409. 7004-04-8 1 1 1 Butanoic acid, 2-amino-3-hydroxy- H3C-CHOH-CH(NH2)-COOH

II.A-5, IV.A-3, XII-2

1410. 454-41-1 0 1 0 Butanoic acid, 2-amino-4-(methylsulfinyl)- IV.A-3, XII-2, XVIII.A-1

1411. 1118-85-0

3226-65-1

0 1 0 Butanoic acid, 2-amino-4-(methylsulfonyl)-

{methionine sulfone; methionine S-oxide}

H3C-SO-(CH2)2-CH(NH2)-COOH

IV.A-3, XII-2, XVIII.A-1

1412. 2338-03-6 0 1 0 Butanoic acid, 2-amino-4-oxo-, (S)- IV.A-3, XII-2

1413. 14287-61-7 0 1 0 Butanoic acid, 2,3-dimethyl-

(H3C)2=CH-CH(CH3)-COOH

IV.A-3

1414. 141-16-2 0 1 0 Butanoic acid, 3,7-dimethyl-6-octenyl ester

{citronellyl butyrate}

V-3

1415. 88-09-5 1 1 1 Butanoic acid, 2-ethyl- {diethylacetic acid} (H3C-CH2)2=CH-COOH IV.A-3

1416. 565-70-8 1 1 1 Butanoic acid, 2-hydroxy- H3C-CH2-CHOH-COOH II.A-5, IV.A-3

1417. 3739-30-8 0 1 0 Butanoic acid, 2-hydroxy-2-methyl- H3C-CH2-C(CH3)(OH)-COOH

II.A-5, IV.A-3

1418. 4026-18-0 1 1 1 Butanoic acid, 2-hydroxy-3-methyl- H3C-CH(CH3)-CHOH-COOH

II.A-5, IV.A-3

1419. 116-53-0 1 1 1 Butanoic acid, 2-methyl- {2-methylbutyric acid} H3C-CH2-CH(CH3)-COOH IV.A-3

1420. 7452-79-1 0 1 0 Butanoic acid, 2-methyl-, ethyl ester H3C-CH2-CH(CH3)-COO-CH2-CH3 V-3

1421. 10032-15-2 0 1 0 Butanoic acid, 2-methyl-, hexyl ester H3C-CH2-CH(CH3)-COO-(CH2)5-CH3 V-3

1422. 868-57-5 0 1 0 Butanoic acid, 2-methyl-, methyl ester H3C-CH2-CH(CH3)-COO-CH3 V-3

1423. 0 1 0 Butanoic acid, 2-methyl-, 2-methylbutyl ester V-3


1425. 0 1 0 Butanoic acid, 2-methyl-, 2-methylpropyl ester V-3

1426. 0 1 0 Butanoic acid, 2-methyl-, 2-phenylethyl ester V-3

1427. 600-18-0 1 1 1 Butanoic acid, 2-oxo- H3C-CH2-CO-COOH III-13, IV.A-3

1428. 78986-08-0 0 1 0 Butanoic acid, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexen-1-yl ester

III-13, V-3

1429. 0 1 0 Butanoic acid, 3-amino- H3C-CH(NH2)-CH2-COOH IV.A-3, XII-2

1430. 1070-83-3 0 1 0 Butanoic acid, 3,3-dimethyl- (H3C)3≡C-CH2-COOH IV.A-3

1431. 300-85-6 1 0 0 Butanoic acid, 3-hydroxy- H3C-CHOH-CH2-COOH II.A-5, IV.A-3

1432. 625-08-1 0 1 0 Butanoic acid, 3-hydroxy-3-methyl- H3C-C(CH3)(OH)-CH2-COOH

II.A-5, IV.A-3

1433. 503-74-2 1 1 1 Butanoic acid, 3-methyl- {isovaleric acid} (H3C)2=CH-CH2-COOH IV.A-3

1434. 109-19-3 0 1 0 Butanoic acid, 3-methyl-, butyl ester; V-3

1435. 1009-20-6 0 1 0 Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadieny-1-yl ester

V-3

57


CAS No.

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Selected structures

Chapter

Table

1436. 76-50-6 0 1 0 Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo- {bornyl isovalerate}

V-3


1438. 78-35-3 0 1 0 Butanoic acid, 3-methyl-, 3,7-dimethyl-1,6-octadien-6-yl ester {linalyl isobutyrate}

V-3

1439. 16409-46-4 0 1 0 Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)-cyclohexanyl ester {menthyl isovalerate}

V-3

1440. 55066-56-3 1 1 1 Butanoic acid, 3-methyl-, 4-methylphenyl ester V-3

1441. 0 1 0 Butanoic acid, 3-methyl-, 2-methylpropyl ester V-3

1442. 140-26-1 1 1 1 Butanoic acid, 3-methyl-, 2-phenylethyl ester {phenethyl isovalerate}

V-3

1443. 108-64-5 1 1 1 Butanoic acid, 3-methyl-, ethyl ester {ethyl isovalerate}

(H3C)2=CH-CH2-COO-C2H5 V-3

1444. 556-24-1 0 1 0 Butanoic acid, 3-methyl-, methyl ester {methyl isovalerate}

(H3C)2=CH-CH2-COO-CH3 V-3

1445. 659-70-1 1 1 1 Butanoic acid, 3-methyl-, 3-methylbutyl ester {isoamyl isovalerate}

V-3

1446. 103-38-8 0 1 0 Butanoic acid, 3-methyl-, phenylmethyl ester {benzyl isovalerate}

V-3

1447. 140-27-2 1 1 1 Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester V-3

1448. 106-27-4 0 1 0 Butanoic acid, 3-methylbutyl ester V-3

1449. 541-50-4 0 1 0 Butanoic acid, 3-oxo- {acetoacetic acid} H3C-CO-CH2-COOH III-13, IV.A-3

1450. 56-12-2 1 1 1 Butanoic acid, 4-amino- H2N-(CH2)3-COOH IV.A-3, XII-2

1451. 61445-55-4 133201-39-5

1 1 1 Butanoic acid, 4-(methylnitrosoamino)- =

Butanoic acid, 4-[(nitrosomethyl)amino]- {NMBA} H3C-N(NO)-(CH2)3-COOH IV.A-3, XV-8

1452. 1 0 0 Butanoic acid, 4-(methylnitrosoamino)-, methyl ester H3C-N(NO)-(CH2)3-COOCH3 V-3, XV-8

1453. 583-92-6 0 1 0 Butanoic acid, 4-(methylthio)-2-oxo- H3C-S-(CH2)2-CO-COOH

III-13, IV.A-3, XVIII.A-1

1454. 54344-76-2 0 1 0 Butanoic acid, 4-(2,6,6-trimethylcyclohexen-1-yl)- IV.A-3

1455. 462-10-2 0 1 0 Butanoic acid, 4,4'-dithiobis[2-amino- {homocystine}

[S-(CH2)2-CH(NH2)-COOH]2

IV.A-3, XII-2, XVIII-1

1456. 71-36-3 1 1 1 1-Butanol {n-butyl alcohol} H3C-(CH2)2-CH2OH II.A-5

1457. 20281-85-0 0 1 0 1-Butanol, 2,3-dimethyl- II.A-5

1458. 0 1 0 1-Butanol, 2-ethoxy- II.A-5, X-2

1459. 91599-03-0 0 1 0 1-Butanol, 4-[(7-β-D-glucopyranosyl-7H-purin-6-yl)amino]-2-methyl-

II.A-5, X-2

1460. 137-32-6 1 1 1 1-Butanol, 2-methyl- II.A-5

1461. 23599-75-9 1 1 1 1-Butanol, 2-methyl-4-(1H-purin-6-ylamino)- II.A-5

1462. 123-51-3 1 1 1 1-Butanol, 3-methyl- {isoamyl alcohol} II.A-5

1463. 94-46-2 1 1 1 1-Butanol, 3-methyl-, benzoate {isoamyl benzoate} V-3

1464. 0 1 0 1-Butanol, 4-(methylnitrosoamino)-1-(3-pyridinyl)- {NNAL}

II.A-5, XII-2, XV-8, XVII.B-2

1465. 78-92-2 1 1 1 2-Butanol {sec-butyl alcohol} H3C-CH2-CHOH-CH3 II.A-5

1466. 6291-17-4 1 0 0 2-Butanol, 3-amino-2-methyl- II.A-5, XII-2

58


CAS No.

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Selected structures

Chapter

Table

1467. 155728-85-1 0 1 0 2-Butanol, 1-(4-bromophenoxy)-3-[(phenylmethyl)amino]-, (R*,R*)-

II.A-5, XII-2, XVIII.B-3

1468. 75-85-4 1 0 0 2-Butanol, 2-methyl- II.A-5

1469. 0 1 0 2-Butanol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- II.A-5

1470. 35734-62-4 1 0 0 1-Butanone, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-

II.A-5, III-13

1471. 51769-21-2 0 1 0 1-Butanone, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (±)-

II.A-5, III-13

1472. 495-40-9 1 0 0 1-Butanone, 1-phenyl- H3C-(CH2)2-CO-C6H5 III-13

1473. 61892-81-7 1 0 0 1-Butanone, 1-pyrazinyl- III-13, XVII.B-2

1474. 1701-70-8 1 1 1 1-Butanone, 1-(3-pyridinyl)- {propyl pyridyl ketone}

III-13, XVII.B-2

1475. 28384-26-1 0 1 0 1-Butanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- III-13

1476. 1 0 0 1-Butanone, 1-(methyl-2-pyridinyl)- III-13, XVII.B-2

1477. 1 0 0 1-Butanone, 1-(2-pyridinyl)- III-13, XVII.B-2

1478. 1 0 0 1-Butanone, 1-(3-methyl-2-pyridinyl)- III-13, XVII.B-2

1479. 1 0 0 1-Butanone, 1-(4-methyl-2-pyridinyl)- III-13, XVII.B-2

1480. 78210-70-5 1 0 0 1-Butanone, 2-methyl-1-(3-pyridinyl)- III-13, XVII.B-2

1481. 68697-66-5 0 1 0 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-

III-13, XVIII.A-1

1482. 0 1 0 1-Butanone, 3-(methylthio)-1-(2,6,6-trimethylcyclohexenyl)-

III-13, XVIII.A-1

1483. 71278-11-0 1 1 1 1-Butanone, 4-amino-1-(3-pyridinyl)- {poikiline} III-13, XVII.B-2

1484. 59578-62-0 0 1 0 1-Butanone, 4-hydroxy-1-(3-pyridinyl)- II.A-5, III-13, XVII.B-2

1485. 0 1 0 1-Butanone, 4-(methylamino)-1-(2.6-dihydroxy-3-pyridinyl)-

II.A-5, III-13, XVII.B-2

1486. 0 1 0 1-Butanone, 4-(methylamino)-1-(6-hydroxy-pyridinyl)-

II.A-5, III-13, XVII.B-2

1487. 2055-23-4 0 1 0 1-Butanone, 4-(methylamino)-1-(3-pyridinyl)- III-13, XII-2, XVII.B-2

1488. 64091-91-4

121268-99-3 26165-82-0

1 1 1 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)- {NNK}

{1-Butanone, 4-[(nitrosomethyl)amino]-1-(3-pyridinyl)-}

III-13, XII-2, XV-8, XVII.B-2

1489. 76014-82-9 0 1 0 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, N-oxide

III-13, XII-2, XV-8, XVII.B-2

1490. 78-93-3 1 1 1 2-Butanone {methyl ethyl ketone} H3C-CO-CH2-CH3 III-13

1491. 1575-57-1 1 1 1 2-Butanone, 1-(acetyloxy)- H3C-CH2-CO-CH2-OOC-CH3 III-13, V-3

1492. 43121-43-3 0 1 0 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl) {Triadimefon®}

X-2, XVII.A-4, XXI-3

1493. 5077-67-8 1 1 1 2-Butanone, 1-hydroxy- H3C-CH2-CO-CH2OH II.A-5, III-13

59


CAS No.

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Selected structures

Chapter

Table

1494. 1007-32-5 1 0 0 2-Butanone, 1-phenyl- C6H5-CH2-CO-CH2-CH3 III-13

1495. 75-97-8 1 0 0 2-Butanone, 3,3-dimethyl- III-13

1496. 57011-15-1 1 0 0 2-Butanone, 3,4-dihydroxy- H3C-CO-CHOH-CH2OH II.A-5, III-13

1497. 513-86-0 1 1 1 2-Butanone, 3-hydroxy- {acetoin} H3C-CO-CHOH-CH3 II.A-5, III-13

1498. 563-80-4 1 1 1 2-Butanone, 3-methyl- H3C-CO-CH=(CH3)2 III-13

1499. 53872-97-2 1 0 0 2-Butanone, 3-methyl-1-(3-pyridinyl)- III-13, XVII.B-2

1500. 10150-87-5 1 0 0 2-Butanone, 4-(acetyloxy)- H3C-CO-CH2-CH2-OOC-CH3 III-13, V-3

1501. 10266-75-8 0 1 0 2-Butanone, 4-(decahydro-5,5,8a-trimethyl-2-

methylene-1-naphthalenyl)-, [1S-(1α,4aβ,8aα)]-

H3C

H3C CH3

H3C O

CH2

III-13

1502. 590-90-9 1 1 1 2-Butanone, 4-hydroxy- H3C-CO-CH2-CH2OH II.A-5, III-13

1503. 1823-90-1 1 0 0 2-Butanone, 4-hydroxy-3,3-dimethyl- H3C-CO-C(CH3)2-CH2OH II.A-5, III-13

1504. 104-20-1 0 1 0 2-Butanone, 4-(4-methoxyphenyl)- III-13, X-2

1505. 34047-39-7 1 1 1 2-Butanone, 4-(methylthio)- III-13, XVIII.A-1

1506. 2550-26-7 1 0 0 2-Butanone, 4-phenyl- H3C-CO-(CH2)2-C6H5 III-13

1507. 50767-77-6 0 1 0 2-Butanone, 4-(2-ethenyl-2,6,6-trimethylcyclohexyl)- III-13

1508. 60761-23-1 0 1 0 2-Butanone, 4-(2,2,6-trimethylcyclohexyl)-, cis- {tetrahydroionone}

OH3C CH3

CH3

CH3

III-13

1509. 58720-40-4 0 1 0 2-Butanone, 4-(2,3,6-trimethylphenyl)- III-13

1510. 20483-36-7 0 1 0 2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-

III-13

1511. 14506-65-1 0 1 0 2-Butanone, 4-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)-, (4aS-trans)-

O

H3C

H3C CH3

CH3

CH3

III-13

1512. 158815-72-6 0 1 0 2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3-(1-methylethyl)-1,2-dioxin-3-yl]-, (E)-

II.A-3, III-13, X-2

1513. 158815-73-7 0 1 0 2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3-(1-methylethyl)-1,2-dioxin-3-yl]-, (Z)-

II.A-3, III-13, X-2

1514. 160115-51-5 0 1 0 2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3-(1-methylethyl)-1,2-dioxin-3-yl]-, (E)- (+)-

II.A-3, III-13, X-2

1515. 160115-52-6 0 1 0 2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3-(1-methylethyl)-1,2-dioxin-3-yl]-, (Z)- (-)-

II.A-3, III-13, X-2

1516. 0 1 0 2-Butanone, 4-[5,6-dihydro-3-methyl-6-(1-methylethyl)-pyran-2-yl]

III-13, IX.A-22

1517. 5471-51-2 1 1 1 2-Butanone, 4-(4-hydroxyphenyl)- {4-(p-hydroxyphenyl)-2-butanone}

III-13, X-2

1518. 13679-56-6 1 1 1 2-Butanone, 4-(5-methyl-2-furanyl)- III-13, X-2

1519. 0 1 0 2-Butanone, 4-(2-methyl-5-(1-methylethyl)-2-furanyl)-

III-13, X-2

60


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Selected structures

Chapter

Table

1520. 0 1 0 2-Butanone, 4-(2-methyl-6-(1-methylethyl)-2-tetrahydropyranyl)-

III-13, X-2

1521. 0 1 0 2-Butanone, 4-(4,5-dihydro-3-methylene-6-dimethylmethylene-2-pyranyl)-

CH2

CH3C

CH3

CH2CH2-CO-CHO

III-13, X-2

1522. 4170-30-3 1 1 1 2-Butenal {crotonaldehyde} H3C-CH=CH-CH=O III-12

1523. 1115-11-3 1 1 1 2-Butenal, 2-methyl- H3C-CH=C(CH3)-CH=O III-12

1524. 107-86-8 1 0 0 2-Butenal, 3-methyl- {senecialdehyde} H3C-C(CH3)=CH-CH=O

1525. 83841-47-8 0 1 0 2-Butenal, 4-(decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-2-methyl-, [1R-

[1α(E),2β,4aβ,8aα]]-

CH=OH3C

H3C

H3C CH3

CH3

OH

II.A-5, III-12

1526. 7319-38-2 1 0 0 3-Butenal H2C=CH-CH2-CH=O III-12

1527. 625-37-6

23350-58-5

1 0 0 2-Butenamide, (E)- {crotonamide} H3C-CH=CH-CO-NH2 XIII-1

1528. 1 0 0 2-Butenamide, (Z)- XIII-1

1529. 72693-06-2 1 0 0 2-Butenamide, N,2-dimethyl- XIII-1

1530. 32793-37-6 1 0 0 2-Butenamide, 2-methyl- XIII-1

1531. 28446-58-4 1 0 0 3-Butenamide H2C=CH-CH2-CO-NH2 XIII-1

1532. 18938-03-9 1 0 0 3-Butenamide, 3-methyl- XIII-1

1533. 692-31-9 1 0 0 2-Buten-1-amine, N,N-dimethyl- XII-2

1534. 2524-49-4 1 0 0 3-Buten-1-amine H2C=CH-CH2-CH2-NH2 XII-2

1535. 20173-36-8 1 0 0 3-Buten-1-amine, N,N-dimethyl-4-(3-pyridinyl)- XII-2, XVII.B-2

1536. 538-79-4 1 1 1 3-Buten-1-amine, N-methyl-4-(3-pyridinyl)- {metanicotine}

N

NH-CH3

XII-2, XVII.B-2

1537. 1 0 0 Butene I.B-1

1538. 1 0 0 Butene, methyl- I.B-1

1539. 106-98-9 1 0 0 1-Butene H2C=CH-CH2-CH3 I.B-1

1540. 563-78-0 1 1 1 1-Butene, 2,3-dimethyl- H2C=C(CH3)-CH=(CH3)2 I.B-1

1541. 558-37-2 1 0 0 1-Butene, 3,3-dimethyl- H2C=CH-C≡(CH3)3 I.B-1

1542. 563-46-2 1 0 0 1-Butene, 2-methyl- H2C=C(CH3)-CH2-CH3 I.B-1

1543. 563-45-1 1 0 0 1-Butene, 3-methyl- H2C=CH-CH=(CH3)2 I.B-1

1544. 107-01-7 1 0 0 2-Butene H3C-CH=CH-CH3 I.B-1

1545. 624-64-6 1 0 0 2-Butene, (E)

C C

H3C

H CH3

H

I.B-1

1546. 590-18-1 1 0 0 2-Butene, (Z)-

C C

CH3H3C

H H

I.B-1

61


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Selected structures

Chapter

Table

1547. 563-79-1 1 0 0 2-Butene, 2,3-dimethyl- (H3C)2=C=C=(CH3)2 I.B-1

1548. 513-35-9 1 0 0 2-Butene, 2-methyl- (H3C)2=C=CH-CH3 I.B-1

1549. 6915-18-0 0 1 0 2-Butenedioic acid HOOC-CH=CH-COOH IV.A-3

1550. 110-17-8 1 1 1 2-Butenedioic acid (E)- {fumaric acid}

C C

H

H

COOH

HOOC

IV.A-3

1551. 110-16-7 1 1 1 2-Butenedioic acid (Z)- {maleic acid} C C

H

HOOC COOH

H

IV.A-3

1552. 623-91-6 0 1 0 2-Butenedioic acid (E)-, diethyl ester {diethyl fumarate}

V-3

1553. 141-05-9 1 0 0 2-Butenedioic acid (Z)-, diethyl ester {diethyl maleate}

V-3

1554. 21788-49-8 0 1 0 2-Butenedioic acid, 2,3-dimethyl-, (E)-

C C

HOOC

COOHH3C

CH3

IV.A-3

1555. 488-21-1 0 1 0 2-Butenedioic acid, 2,3-dimethyl-, (Z)-

C C

HOOC COOH

CH3H3C

IV.A-3

1556. 624-48-6 1 0 0 2-Butenedioic acid (Z)-, dimethyl ester V-3

1557. 28098-80-8 0 1 0 2-Butenedioic acid, 2-ethyl-3-methyl-, (E)-

C C

HOOC

COOHH3C

C2H5

IV.A-3

1558. 41654-09-5 0 1 0 2-Butenedioic acid, 2-ethyl-3-methyl-, (Z)-

C C

HOOC

H3C

COOH

C2H5

IV.A-3

1559. 498-24-8 1 0 0 2-Butenedioic acid, 2-methyl-, (E)- {mesaconic acid} C C

HOOC

COOHH3C

H

IV.A-3

1560. 498-23-7 1 1 1 2-Butenedioic acid, 2-methyl-, (Z)- {citraconic acid} C C

HOOC

H3C

COOH

H

IV.A-3

1561. 497-06-3 1 0 0 3-Butene-1,2-diol HOCH2-CHOH-CH=CH2 II.A-5

1562. 4786-20-3 1 0 0 2-Butenenitrile {crotononitrile} H3C-CH=CH-CN XI-2

1563. 1 0 0 2-Butenenitrile, 3-methyl- XI-2

1564. 109-75-1 1 0 0 3-Butenenitrile {allyl cyanide} H2C=CH-CH2-CN XI-2

1565. 1 0 0 3-Butenenitrile, 3-methyl- XI-2

1566. 3724-65-0 1 1 1 2-Butenoic acid {crotonic acid} H3C-CH=CH-COOH IV.A-3

1567. 107-93-7 1 1 1 2-Butenoic acid, (E)- {trans-crotonic acid}

C C

H3C

COOH

H

H

IV.A-3

1568. 503-64-0 1 0 0 2-Butenoic acid, (Z)- {cis-crotonic acid} C C

COOH

HH

H3C

IV.A-3

62


CAS No.

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T

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Selected structures

Chapter

Table

1569. 10544-63-5 0 1 0 2-Butenoic acid (E)-, ethyl ester {ethyl crotonate}

V-3

1570. 18707-60-3 0 1 0 2-Butenoic acid, methyl ester H3C-CH=CH-COO-CH3 V-3

1571. 13201-46-2 1 1 1 2-Butenoic acid, 2-methyl-, (Z)- {angelic acid} IV.A-3

1572. 80-59-1 1 1 1 2-Butenoic acid, 2-methyl-, (E)- {tiglic acid} IV.A-3

1573. 37526-88-8 0 1 0 2-Butenoic acid, 2-methyl-, phenylmethyl ester {benzyl tiglate}

V-3

1574. 39300-45-3 0 1 0 2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitrophenyl ester {Dinocap®}

V-3, XVI-1, XXI-3

1575. 7786-34-7 0 1 0 2-Butenoic acid, 3[(dimethoxyphosphinyl)oxy]-, methyl ester {Mevinphos®; Phosdrin®)} P

H3CO O

H3COO

CH3

COOCH3

V-3,

XXI-3

1576. 541-47-9 1 1 1 2-Butenoic acid, 3-methyl- IV.A-3

1577. 32040-41-8 0 1 0 2-Butenoic acid, 4-(formylamino)-4-oxo-, (Z)- O=CH-NH-CO-CH=CH-COOH

IV.A-3, XIII-1

1578. 625-38-7 1 0 0 3-Butenoic acid H2C=CH-CH2-COOH IV.A-3

1579. 1617-31-8 1 1 1 3-Butenoic acid, 3-methyl- IV.A-3

1580. 2243-53-0 1 1 1 3-Butenoic acid, 4-phenyl- {styrylacetic acid} IV.A-3

1581. 43000-45-9 1 1 1 1-Buten-1-ol, 3-methyl- II.A-5



1584. 1637-39-4 0 1 0 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)- II.A-5, XII-2

1585. 0 1 0 2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylaminoribosyl)-

II.A-5, XII-2

1586. 29736-33-2 0 1 0 2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin-6-yl]amino]-, (E)-

II.A-5, XII-2, XVIII.A-1

1587. 72074-11-4 0 1 0 2-Buten-1-ol, 3-(dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2-yl)-, [2S-

[2α(E),3aα,5aβ,9aα,9bβ]]-

II.A-5, XII-2

1588. 87584-34-7 0 1 0 2-Buten-1-ol, 3-(dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2-yl)-, [2R-

[2α(E),3aβ,5aα,9aβ,9bα]]-

II.A-5, XII-2

1589. 627-27-0 1 0 0 3-Buten-1-ol H2C=CH-CH2-CH2OH II.A-5

1590. 115-18-4 1 0 0 3-Buten-2-ol, 2-methyl- H2C=CH-CHOH=(CH3)2 II.A-5

1591. 0 1 0 3-Buten-2-ol, 4-phenyl- C6H5-CH=CH-CHOH-CH3 II.A-5

1592. 13215-89-9 0 1 0 3-Buten-2-ol, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-

OH

II.A-5

1593. 1 1 1 3-Buten-2-ol, 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {3-hydroxy-β-ionol}

II.A-5

1594. 0 1 0 3-Buten-2-ol, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {4-hydroxy-β-ionol}

II.A-5

1595. 27008-60-2

22029-76-1

0 1 0 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- {β-ionol}

OH

II.A-5

63


CAS No.

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T

S

T


Selected structures

Chapter

Table

1596. 472-78-6 0 1 0 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- {α-ionol}

OH

II.A-5

1597. 79925-80-7 0 1 0 3-Buten-2-ol, 4-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-

II.A-5

1598. 54345-38-9 0 1 0 2-Buten-1-one, 1-(2,3,6-trimethylphenyl)-, (E)- III-13

1599. 23726-93-4

23696-85-7

1 1 1 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)- {β-damascenone}

O

III-13

1600. 0 1 0 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- {β-damascenone isomer}

III-13

1601. 80111-68-8

23770-92-3

35044-68-9

1 1 1 2-Buten-1-one, 1-(2,6,6-trimethylcyclohexenyl)- {damascone}

III-13

1602. 23726-91-2 1 1 1 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-

III-13

1603. 23726-92-3

85949-43-5

1 1 1 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)- {β-damascone}

O

III-13

1604. 102488-09-5 1 1 1 2-Buten-1-one, 1-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {3-hydroxy-β-damascone}

III-13

1605. 80508-24-3 1 0 0 2-Buten-1-one, 1-(3-pyridinyl)- III-13, XVII.B-2

1606. 0 1 0 2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethycyclohexanyl)-

{4-hydroxydihydro-β-damascone} HO

O

III-13

1607. 56915-02-7 1 1 1 2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {4-hydroxy-β-damascone}

HO

O

III-13

1608. 35734-61-3 1 1 1 2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-

II.A-5, III-13

1609. 160550-79-8 0 1 0 2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, [R-(E)]-

II.A-5, III-13

1610. 87562-12-7 0 1 0 2-Buten-1-one, 1-[3-(formyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, (E)-

III-13, V-3

1611. 62512-25-8 0 1 0 2-Buten-1-one, 1-[4-(β-D-glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-

II.A-5, III-13, X-2

1612. 160550-77-6 0 1 0 2-Buten-1-one, 1-[4-(β-D-glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, [R-(E)]-

II.A-5, III-13, X-2

1613. 495-45-4 0 1 0 2-Buten-1-one, 1,3-diphenyl- III-13

1614. 78-94-4 1 1 1 3-Buten-2-one {methyl vinyl ketone} H2C=CH-CO-CH3 III-13

1615. 814-78-8 1 0 0 3-Buten-2-one, 3-methyl- H2C=C(CH3)-CO-CH3 III-13

1616. 125-51-5 0 1 0 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-

cyclohexen-1-yl)- {α-isomethylionone}

III-13

1617. 73892-47-4 0 1 0 3-Buten-2-one, 4-[3-(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-,[R-(E)]-

III-13, V-3

64


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1618. 50281-40-8 0 1 0 3-Buten-2-one, 4-[4-(acetyloxy)-2,2,6-trimethyl-7-

oxabicyclo[4.1.0]hept-1-yl]-, [1R-[1α(E),4β,6α]]- H3C CH3

O

CH3

CH3

O

H3C-COO

III-13, V-3, X-2

1619. 50281-41-9 0 1 0 3-Buten-2-one, 4-[4-(acetyloxy)-2,2,6-trimethyl-7-

oxabicyclo[4.1.0]hept-1-yl]-, [1S-[1α(E),4α,6α]]-

III-13, V-3, X-2

1620. 42569-64-2 0 1 0 3-Buten-2-one, 4-(decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-, [1R-

[1α(E),2β,4aβ,8aα]]- O

OH

CH3

H3C

H3C CH3

CH3

II.A-5, III-13

1621. 54656-80-3 0 1 0 3-Buten-2-one, 4-(decahydro-2-hydroxy-2,5,5,8a-

tetramethyl-1-naphthalenyl)-, [1α(E),2α,4aβ,8aα]-(±)-

II.A-5, III-13

1622. 623-15-4 1 1 1 3-Buten-2-one, 4-(2-furanyl)- III-13, X-2

1623. 14398-34-6 0 1 0 3-Buten-2-one, 4-(3-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-

II.A-5, III-13

1624. 61892-82-8 1 0 0 3-Buten-2-one, 4-(4-hydroxy-1-cyclohexen-1-yl)- II.A-5, III-13

1625. 50281-42-0 0 1 0 3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7-

oxabicyclo[4.1.0]hept-1-yl)-, [1S-[1α(E),4α,6α]]-

HO

O

O

CH3H3C

CH3

CH3

II.A-5, III-13, X-2


oxabicyclo[4.1.0]hept-1-yl)-, [1R-[1α(E),4β,6α]]-

HO

O

O

CH3H3C

CH3

CH3

II.A-5, III-13, X-2

1627. 72491-46-4 0 1 0 3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- {4-hydroxy-β-ionone}

II.A-5, III-13


cyclohexen-1-yl)- {4-hydroxy-α-ionone}

II.A-5, III-13

1629. 23120-57-2 1 0 0 3-Buten-2-one, 4-(5-methyl-2-furanyl)- III-13, X-2

1630. 66434-99-9 0 1 0 3-Buten-2-one, 4-(5-methyl-2-furanyl)-, (E)- III-13, X-2

1631. 122-57-6 1 1 1 3-Buten-2-one, 4-phenyl- C6H5-CH=CH-CO-CH3 III-13

1632. 2433-57-0 1 0 0 3-Buten-2-one, 4-(1H-pyrrol-2-yl)-, (E)- III-13, XVII.A-4

1633. 79-69-6 0 1 0 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)- {α-irone}

III-13

1634. 23267-57-4 0 1 0 3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-

O

OH3C CH3

CH3

CH3

III-13, X-2

1635. 56681-06-2 0 1 0 3-Buten-2-one, 4-(2,3,6-trimethylphenyl)- III-13

1636. 1203-08-3 1 1 1 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-

cyclohexadien-1-yl)- {dehydro-β-ionone}

III-13

1637. 14398-35-7 0 1 0 3-Buten-2-one, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-

III-13

65


CAS No.

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T

S

T


Selected structures

Chapter

Table

1638. 14901-07-6 1 1 1 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-

yl)- {β-ionone}

O

III-13

1639. 79-77-6 0 1 0 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-

III-13

1640. 127-41-3

8013-90-9

1 1 1 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-

yl)-, (E)- {α-ionone}

O

III-13

1641. 689-97-4 1 0 0 1-Buten-3-yne H2C=CH-C≡CH I.B-1

1642. 1 0 0 Butoxyl radical OC4H9 XXVII-1

1643. 1 0 0 tert-Butoxyl radical XXVII-1

1644. 1119-19-3 1 0 0 2-Butynal H3C-C≡C-CH=O III-12

1645. 1 0 0 Butyne H-(CH2)n-C≡C-(CH2)(2-n)-H I.B-1

1646. 107-00-6 1 0 0 1-Butyne H3C-CH2-C ≡CH I.B-1

1647. 503-17-3 1 1 1 2-Butyne H3C-C≡C-CH3 I.B-1

1648. 7440-43-9 1 1 1 Cadmium Cd XX-5

1649. 7440-70-2 1 1 1 Calcium Ca XX-5

1650. 14127-61-8 0 1 0 Calcium, ion Ca+2

XX-5

1651. 1305-78-8 0 1 0 Calcium oxide CaO XX-5, XX-6

1652. 15124-81-9 0 1 0 Calcium, isotope of mass 49 XX-5

1653. 9064-51-1 54724-00-4

0 1 0 Callose {1,3-β-D-glucan} II.A-5, VIII-3

1654. 101-21-3 0 1 0 Carbamic acid, 3-chlorophenyl-, (1-methylethyl) ester {Chloropropham®}

XXI-3

1655. 23103-98-2 0 1 0 Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester {Pirimicarb®}

XXI-3, XVII.B-2, XXI-3

1656. 25606-41-1 0 1 0 Carbamic acid, 3-(dimethylamino)propyl-, propyl ester, hydrochloride {Propamocarb hydrochloride®}

HN

COO-(CH2)2-CH3

(CH2)3-N(CH3)2

HCl.

V-3, XXI-3

1657. 51-79-6 1 1 1 Carbamic acid, ethyl ester {urethan} H2N-COO-C2H5 V-3

1658. 598-55-0 0 1 0 Carbamic acid, methyl ester H2N-COO-CH3 V-3

1659. 137-42-8 0 1 0 Carbamic acid, N-methyldithio-, monosodium salt {Metham-sodium®}

XVIII.A-1, XX-6, XXI-3

1660. 594-07-0 0 1 0 Carbamodithioic acid H2N-CSSH XVIII.A-1

1661. 9006-42-2 0 1 0 Carbamodithioic acid, 1,2-ethylene(bis-, polymer with ammonia complex of zinc ethylenebis-dithiocarbamate {Metiram®}

XXI-3

1662. 1114-71-2 0 1 0 Carbamothioic acid, butylethyl-, S-propyl ester {Tillam®; Pebulate®} N-CO-S-(CH2)2-CH3

H3C-CH2

H3C-(CH2)3

XVIII.A-1, XXI-3

1663. 759-94-4 0 1 0 Carbamothioic acid, dipropyl-, S-ethyl ester {EPTC®}

XVIII.A-1, XXI-3

1664. 1929-77-7 0 1 0 Carbamothioic acid, dipropyl-, S-propyl ester {Vernolate®}

XVIII.A-1, XXI-3

66


CAS No.

S

T

S

T


Selected structures

Chapter

Table

1665. 2303-17-5 0 1 0 Carbamothioic acid, S-(2,3,3-trichloro-2-propenyl) bis(1-methylethyl) ester {Triallate®}

XVIII.A-1, XXI-3

1666. 9012-49-1 0 1 0 Carbamoyltransferase, aspartate XXII-2

1667. 1 0 0 Carbazole XVII.E-6

1668. 86-74-8 1 0 0 9H-Carbazole {dibenzo[b,d]pyrrole}

NH

12

45

6

78

9

XVII.E-6

1669. 1 0 0 9H-Carbazole, alkyl- XVII.E-6

1670. 1 0 0 9H-Carbazole, 9-alkyl- XVII.E-6

1671. 4539-51-9 1 0 0 9H-Carbazole, 2-amino- XII-2, XVII.E-6

1672. 1 0 0 9H-Carbazole, 2-amino-ethyl- XII-2, XVII.E-6

1673. 30642-38-7 1 0 0 9H-Carbazole, dimethyl- XVII.E-6

1674. 14171-85-8 1 0 0 9H-Carbazole, 1,9-dimethyl- XVII.E-6




1678. 71277-85-5 1 0 0 9H-Carbazole, ethyl- XVII.E-6

1679. 86-28-2 1 0 0 9H-Carbazole, 9-ethyl- XVII.E-6

1680. 27323-29-1 1 0 0 9H-Carbazole, methyl- XVII.E-6

1681. 6510-65-2 1 0 0 9H-Carbazole, 1-methyl- XVII.E-6





1686. 64844-53-7 1 0 0 9H-Carbazole, tetramethyl- XVII.E-6

1687. 64844-51-5 1 0 0 9H-Carbazole, trimethyl- XVII.E-6

1688. 7440-44-0 1 1 1 Carbon C XX-5

1689. 14762-75-5 1 0 0 Carbon, isotope of mass 14 14

C XX-5

1690. 124-38-9 1 1 1 Carbon dioxide CO2 XIX-5

1691. 51-90-1 1 0 0 Carbon-14

C dioxide 14

CO2 XIX-5

1692. 75-15-0 1 0 0 Carbon disulfide CS2 XIX-5

1693. 630-08-0 1 0 0 Carbon monoxide CO XIX-5

1694. 7665-54-5 1 0 0 Carbon-14

C monoxide 14

CO XIX-5

1695. 463-58-1 1 0 0 Carbon oxide sulfide (COS) {carbonyl sulfide} COS XIX-5

1696. 75-44-5 0 1 0 Carbon oxychloride {phosgene} COCl2 XIX-5, XVIII.B-3, XXI-3

1697. 2944-05-0 1 0 0 Carbon sulfide CS XIX-5

1698. 56-23-5 0 1 0 Carbon tetrachloride CCl4 XVIII.B-3, XXI-3

1699. 10361-29-2 1 0 0 Carbonic acid, ammonium salt (NH4)2CO3 XX-6

1700. 471-34-1 1 0 0 Carbonic acid, calcium salt CaCO3 XX-6

1701. 13717-00-5 0 1 0 Carbonic acid, magnesium salt MgCO3 XX-6

67


CAS No.

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T

S

T


Selected structures

Chapter

Table

1702. 584-08-7 0 1 0 Carbonic acid, dipotassium salt K2CO3 XX-6

1703. 497-19-8 0 1 0 Carbonic acid, disodium salt {sodium carbonate} Na2CO3 XX-6

1704. 1066-33-7 1 1 1 Carbonic acid, monoammonium salt

{ammonium hydrogen carbonate}

(NH4)HCO3 XX-6

1705. 298-14-6 0 1 0 Carbonic acid, monopotassium salt KHCO3 XX-6

1706. 144-55-8 0 1 0 Carbonic acid, monosodium salt NaHCO3 XX-6

1707. 9031-55-4 0 1 0 Carboxylase XXII-2

1708. 9067-77-0 0 1 0 Carboxylase, phosphoenolpyruvate (phosphate) XXII-2

1709. 37341-54-1 0 1 0 Carboxylase, phosphopyruvate XXII-2

1710. 9027-23-0 0 1 0 Carboxylase, ribulose diphosphate XXII-2

1711. 131201-61-1 0 1 0 Carboxylase, ribulose diphosphate (Nicotiana sylvestris clone NySS4 small subunit precursor reduced)

XXII-2

1712. 9031-98-5 0 1 0 Carboxypeptidase XXII-2

1713. 7235-40-7 1 1 1 β,β-Carotene {β-carotene, all-trans}

CH3

H3C CH3CH3 CH3

CH3 CH3

H3C

CH3H3C

I.C-3

1714. 6811-73-0 0 1 0 β,β-Carotene, 13-cis- I.C-3

1715. 68295-84-1 0 1 0 β,β-Carotene, neo I.C-3

1716. 14660-91-4 0 1 0 β,β-Carotene, 6,7-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-3,3',5-trihydroxy-, (3S,3'S,5R,5'R,6R,6'S,9'-cis)- {neoxanthin}

II.A-5

1717. 30743-41-0 0 1 0 β,β-Carotene, 6,7-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro-3,3',5-trihydroxy-, (3S,3'S,5R,5'R,6R,6'S)-

II.A-5

1718. 29472-68-2 0 1 0 β,β-Carotene-3,3'-diol {zeaxanthin} II.A-5

1719. 144-68-3 0 1 0 β,β-Carotene-3,3'-diol, (3R,3'R)- {zeaxanthin} II.A-5

1720. 126-29-4 0 1 0 β,β-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6S,6'S)- {violaxanthin}

HO CH3

H3C CH3

O

CH3 CH3

CH3 CH3

O

H3C OH

CH3H3C

II.A-5, X-2

1721. 26927-07-1 0 1 0 β,β-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6S,6'S,9-cis)-

II.A-5, X-2

1722. 68831-78-7 0 1 0 β,β-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S,9-cis)-

II.A-5, X-2

1723. 472-70-8 0 1 0 β,β-Caroten-3-ol, (3R)- {cryptoxanthin} II.A-5

1724. 7488-99-5 0 1 0 β,ε-Carotene, (6'R)- {α-carotene} I.C-3

1725. 17539-43-4 0 1 0 β,ε-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro- II.A-5, X-2

1726. 28368-08-3 0 1 0 β,ε-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S,6'R)-

II.A-5, X-2

1727. 512-29-8 0 1 0 β,ε-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, (3S,3'R,5R,6'R,8R)- {flavoxanthin}

II.A-5, X-2

1728. 127-40-2 0 1 0 β,ε-Carotene-3,3'-diol, (3R,3'R,6'R)- {xanthophyll; lutein}

HO CH3

H3C CH3CH3 CH3

CH3 CH3

H3C OH

CH3H3C

II.A-5

68


CAS No.

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T

S

T


Selected structures

Chapter

Table

1729. 502-65-8 1 1 1 ψ,ψ-Carotene {lycopene}

I.C-3

1730. 540-04-5 0 1 0 ψ,ψ-Carotene, 7,7',8,8',11,11',12,12'-octahydro- {phytoene}

I.C-3

1731. 540-05-6 0 1 0 ψ,ψ-Carotene, 7,7',8,8',11,12-hexahydro- {phytofluene}

I.C-3

1732. 9001-05-2 0 1 0 Catalase XXII-2

1733. 28231-03-0 0 1 0 Cedrenol

OH

CH3

CH3

H3C

OH

CH3

CH3

H3C

II.A-5

1734. 528-50-7 0 1 0 Cellobiose II.A-5, VIII-3, X-2

1735. 9012-54-8 0 1 0 Cellulase XXII-2

1736. 9004-34-6 0 1 0 Cellulose II.A-5, VIII-3

1737. 0 1 0 Cellulose, labeled with 14

C {cellulose-14

C} XXV-29

1738. 9000-11-7 0 1 0 Cellulose, carboxymethyl ether II.A-5, VIII-3, X-2

1739. 9004-57-3 0 1 0 Cellulose, ethyl ether II.A-5, VIII-3, X-2

1740. 9004-67-5 0 1 0 Cellulose, methyl ether II.A-5, VIII-3, X-2

1741. 7440-45-1 1 1 1 Cerium Ce XX-5

1742. 14762-78-8 0 1 0 Cerium, isotope of mass 144 144

Ce XX-5

1743. 7440-46-2 1 1 1 Cesium Cs XX-5

1744. 13967-70-9 1 1 1 Cesium, isotope of mass 134 134

Cs XX-5

1745. 10045-97-3 1 1 1 Cesium, isotope of mass 137 137

Cs XX-5

1746. 9001-06-3 0 1 0 Chitinase XXII-2

1747. 131554-01-3 0 1 0 Chitinase (Nicotiana tabacum samsun isoenzyme reduced)

XXII-2

1748. 148348-37-2 0 1 0 Chitinase (Nicotiana tabacum xanthi clone pBSCL226 isoenzyme III precursor reduced)

XXII-2

1749. 152619-17-5 0 1 0 Chitinase (tobacco basic isoenzyme III precursor reduced)

XXII-2

1750. 128285-05-2 0 1 0 Chitinase (tobacco clone lambda.CHN17 basic isoenzyme precursor reduced)

XXII-2

1751. 128285-06-3 0 1 0 Chitinase (tobacco clone lambda.CHN17 basic isoenzyme reduced)

XXII-2

1752. 159520-75-9 0 1 0 Chitinase (tobacco clone 59 gene chi-V precursor reduced)

XXII-2

1753. 16887-00-6 1 1 1 Chloride Cl-1 XVIII.B-3, XX-5

1754. 7782-50-5 1 1 1 Chlorine Cl2 XVIII.B-3, XX-5

1755. 14158-34-0 0 1 0 Chlorine, isotope of mass 38 38

Cl2 XVIII.B-3, XX-5

1756. 9025-96-1 0 1 0 Chlorophyllase XXII-2

69


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Selected structures

Chapter

Table

1757. 42617-16-3 0 1 0 Chlorophyll a {also listed under Magnesium} XX-6, XVII.A-5

1758. 519-62-0 0 1 0 Chlorophyll b {also listed under Magnesium} XX-6, XVII.A-5

1759. 1406-65-1 0 1 0 Chlorophylls a + b XX-6, XVII.A-5

1760. 14897-06-4 0 1 0 Chlorophyllide XX-6, XVII.A-5

1761. 11006-34-1 0 1 0 Chlorophyllin XX-6, XVII.A-5

1762. 119973-28-3 1 0 0 Chol-3-ene, 23-methyl-, (5α)- I.C-1

1763. 747-90-0 1 0 0 Cholesta-3,5-diene I.C-1

1764. 1 0 0 Cholesta-3,5-diene, 24-ethyl- I.C-1

1765. 481-21-0 0 1 0 Cholestane, (5α)- {coprostane}

CH3

CH3

CH3

CH3

H3C

I.C-1

1766. 1 0 0 Cholesta-3,5,22-triene, 24-methyl- I.C-1

1767. 119973-28-3 1 0 0 Chol-3-ene, 23-methyl-, (5α)- I.C-1

1768. 747-90-0 1 0 0 Cholesta-3,5-diene I.C-1

1769. 1 0 0 Cholesta-3,5-diene, 24-ethyl- I.C-1

1770. 481-21-0 0 1 0 Cholestane, (5α)- {coprostane}

CH3

CH3

CH3

CH3

H3C

I.C-1

1771. 1 0 0 Cholesta-3,5,22-triene, 24-methyl- I.C-1

1772. 96443-01-5 1 0 0 Cholest-4-en-3-ol, 4-methyl- (3α) II.B-2

1773. 57-88-5 1 1 1 Cholest-5-en-3-ol (3β)- {cholesterol}

CH3

CH3

CH3

HO

CH3

CH3

II.B-2

1774. 0 1 0 Cholest-5-en-3-ol (3β)-, 9,12,15-octadecatrienoate,

[3β(Z,Z,Z),22E]- {cholesteryl linolenate}

II.B-2, V-3

1775. 0 1 0 Cholest-5-en-3-ol (3β)-, 9-octadecenoate,

[3β(Z),22E]- {cholesteryl oleate}

II.B-2, V-3

1776. 0 1 0 Cholest-5-en-3-ol (3β)-, octadecanoate, (3β,22E)- {cholesteryl stearate}

II.B-2, V-3

1777. 474-77-1 0 1 0 Cholest-5-en-3-ol, (3α)-) {epicholesterol} II.B-2

1778. 1253-88-9 0 1 0 Cholest-5-en-3-ol, 4,4-dimethyl-, (3β)- II.B-2

1779. 6036-58-4 0 1 0 Cholest-7-en-3-ol, (3β)- II.B-2

1780. 481-25-4 0 1 0 Cholest-7-en-3-ol, 4-methyl-, (3β,4α,5α)- II.B-2

1781. 6062-47-1 0 1 0 Cholest-8-en-3-ol, 14-methyl-, (3β,5α)- II.B-2

1782. 5241-24-7 0 1 0 Cholest-8-en-3-ol, 4,4-dimethyl-, (3β,5α)- II.B-2

70


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Selected structures

Chapter

Table

1783. 5241-22-5 0 1 0 Cholest-8-en-3-ol, 4-methyl-, (3β,4α,5α)- II.B-2

1784. 100017-41-2 0 1 0 Cholest-9(11)-en-3-ol, 14-methyl-, (3β,5α)- II.B-2

1785. 7440-47-3 1 1 1 Chromium Cr XX-5

1786. 14392-02-0 1 1 1 Chromium, isotope of mass 51 51

Cr XX-5

1787. 218-01-9 1 1 1 Chrysene {1,2-benzophenanthrene}

I.E-6

1788. 1 0 0 Chrysene, alkyl- I.E-6

1789. 2642-98-0 1 0 0 Chrysene, 6-amino- I.E-6, XII-2

1790. 41637-92-7 1 0 0 Chrysene, dimethyl- {at least 3 isomers in MSS} I.E-6

1791. 71277-86-6 1 0 0 Chrysene, ethyl- I.E-6

1792. 71277-87-7 1 0 0 Chrysene, ethylmethyl- I.E-6

1793. 41637-90-5 1 0 0 Chrysene, methyl- I.E-6

1794. 3351-28-8 1 0 0 Chrysene, 1-methyl- I.E-6






1800. 7496-02-8 1 0 0 Chrysene, 6-nitro- XVI-1

1801. 71277-88-8 1 0 0 Chrysene, pentamethyl- I.E-6

1802. 71277-89-9 1 0 0 Chrysene, propyl- I.E-6

1803. 71277-90-2 1 0 0 Chrysene, tetramethyl- I.E-6

1804. 60826-77-9 1 0 0 Chrysene, trimethyl- I.E-6

1805. 253-66-7 1 0 0 Cinnoline {1,2-diazanaphthalene}

XVII.E-6

1806. 63863-33-2 1 0 0 Cinnoline, dihydro- XVII.E-6

1807. 14722-38-4 1 0 0 Cinnoline, 4-methyl- XVII.E-6

1808. 7440-48-4 1 1 1 Cobalt Co XX-5

1809. 10198-40-0 1 1 1 Cobalt, isotope of mass 60 60

Co XX-5

1810. 1 0 0 Cobalt carbonyl XX-6

1811. 85-61-0 0 1 0 Coenzyme A XXII-2

1812. 604-98-8 0 1 0 Coenzyme A, S-(hydrogen butanedioate) XXII-2

1813. 7440-50-8 1 1 1 Copper Cu XX-5

1814. 0 1 0 Copper, ion Cu+2

XX-5

1815. 1317-39-1 0 1 0 Copper oxide XX-6

1816. 1332-40-7

1332-65-6

0 1 0 Copper oxychloride {RAME} XXI-3

1817. 8012-69-9 0 1 0 Copper oxychloride sulfate Cu2Cl(OH)3 + Cu4(OH)6(SO4) XXI-3

1818. 7758-98-7 0 1 0 Copper sulfate XXI-3

71


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Selected structures

Chapter

Table

1819. 191-07-1 1 1 1 Coronene

I.E-6

1820. 64760-15-2 1 0 0 Coronene, dimethyl- I.E-6

1821. 13119-86-3 1 0 0 Coronene, methyl- I.E-6

1822. 115742-70-6 0 1 0 Cryptogein XXII-2

1823. 156-62-7 0 1 0 Cyanamide, calcium salt Ca=N-CN XI-2, XXI-3

1824. 1467-79-4 1 0 0 Cyanamide, dimethyl- (CH3)2=N-CN XI-2

1825. 590-28-3 0 1 0 Cyanic acid, potassium salt K-OCN- XX-6, XXI-3

1826. 57-12-5 1 0 0 Cyanide ion CN-1 XI-2

1827. 1 0 0 Cyanide radical CN XXVII-1

1828. 1 0 0 Cyanide radical {acrylonitrile radical} C3H2N XXVII-1

1829. 1 0 0 Cyanide radical C3H4N XXVII-1

1830. 94185-89-4 0 1 0 Cyclase, farnesyl pyrophosphate XXII-2

1831. 60485-38-3 0 1 0 9,19-Cyclocholest-24-en-3-ol, 4,14-dimethyl-,

(3β,4α,5α)-

II.B-2

1832. 34443-88-4 0 1 0 9,19-Cycloergost-24(28)-en-3-ol, 14-methyl-,

(3β,5α)-

II.B-2

1833. 469-39-6 0 1 0 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-,

(3β,4α,5α)-

II.B-2

1834. 34347-58-5 0 1 0 9,19-Cycloergostan-3-ol, 14-methyl-, (3β,5α,9β)- II.B-2

1835. 59780-40-4 0 1 0 9,19-Cycloergostan-3-ol, 4,14-dimethyl-,

(3β,4α,5α,24ξ)-

II.B-2

1836. 0 1 0 2,4-Cycloheptadien-1-one, 2,6,6-trimethyl- {eucarvone}

III-13

1837. 502-42-1 1 0 0 Cycloheptanone {suberone}

O

III-13

1838. 544-25-2 1 0 0 1,3,5-Cycloheptatriene {tropilidene}

I.C-1

1839. 29797-09-9 1 0 0 Cyclohexadiene I.C-1

1840. 592-57-4 1 0 0 1,3-Cyclohexadiene 1

2

3

4

5

6

I.C-1

1841. 99-86-5 1 1 1 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-

{α-terpinene}

I.C-1

1842. 99-83-2 1 1 1 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-

{α-phellandrene}

I.C-1

1843. 4221-98-1 1 1 1 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-,

(R)- {α-phellandrene}

I.C-1

1844. 116-26-7 0 1 0 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- {safranal}

III-12

1845. 0 1 0 1,3-Cyclohexadiene, 1,2,6,6-tetramethyl- I.C-1

72


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Selected structures

Chapter

Table

1846. 628-41-1 0 1 0 1,4-Cyclohexadiene 1

2

3

4

5

6

I.C-1

1847. 99-85-4 0 1 0 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- I.C-1

1848. 617-12-9 0 1 0 1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3R-E)-

II.A-5, IV.A-3

1849. 1 0 0 Cyclohexadienedione {quinone} IX.B-2

1850. 106-51-4 1 0 0 2,5-Cyclohexadiene-1,4-dione {p-benzoquinone} OO

IX.B-2

1851. 106-34-3 1 0 0 2,5-Cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol (1:1)

IX.A-22, IX.B-2

1852. 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,3-dihydro- IX.B-2

1853. 1 1 1 2,5-Cyclohexadiene-1,4-dione, 2,3-dihydro-2,2,6-trimethyl-

IX.B-2

1854. 303-98-0 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecenyl)-6-methyl- {ubiquinone-10}

( )H3CO

H3CO CH3

CH3

10

H

O

O

IX.B-2

1855. 137-18-8 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl- IX.B-2

1856. 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-

IX.B-2

1857. 527-61-7 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl- IX.B-2

1858. 4299-57-4 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22, 26,30,34-hexatriacontanonaenyl)-, (all-E)- {plastoquinone}

IX.B-2

1859. 606-06-4 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-, (E)-

IX.B-2, X-2

1860. 2474-72-8 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy- II.A-5, IX.B-2

1861. 3361-10-2 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-6-methyl-

II.A-5, IX.B-2

1862. 7559-04-8 0 1 0 2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-, [3R- (3R*,7R*,11R*)]-

II.A-5, IX.B-2

1863. 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2-methoxy- IX.B-2, X-2

1864. 553-97-9 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2-methyl- IX.B-2

1865. 527-17-3 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl- IX.B-2

1866. 935-92-2 1 0 0 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl- IX.B-2

1867. 583-63-1 1 1 1 3,5-Cyclohexadiene-1,2-dione {o-benzoquinone} O

O

IX.B-2

1868. 0 1 0 2,4-Cyclohexadien-1-one, 2,6,6-trimethyl- III-13

1869. 0 1 0 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-hydoxy-4-methyl-

II.A-5, III-13

73


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Selected structures

Chapter

Table

1870. 110-82-7 1 0 0 Cyclohexane

I.C-1

1871. 27195-67-1 1 0 0 Cyclohexane, dimethyl- I.C-1

1872. 1 0 0 Cyclohexane, ethyl- I.C-1

1873. 108-87-2 1 0 0 Cyclohexane, methyl- I.C-1

1874. 1 0 0 Cyclohexane, propyl- I.C-1

1875. 27013-35-0 1 0 0 Cyclohexane, methyl-(1-methylethenyl)- I.C-1

1876. 29887-60-3 0 1 0 Cyclohexane, 1,2-dimethoxy-, (E) X-2

1877. 590-66-9 1 0 0 Cyclohexane, 1,1-dimethyl- I.C-1

1878. 591-21-9 1 0 0 Cyclohexane, 1,3-dimethyl- I.C-1

1879. 33880-83-0 0 1 0 Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-

methylethenyl)-, (1α,2β,4β)-

I.C-1

1880. 515-13-9 0 1 0 Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-

methylethenyl)-, [1S-(1α,2β,4β)]-

I.C-1

1881. 62238-31-7 1 0 0 Cyclohexane, 1-ethyl-1,3-dimethyl-, (Z)- I.C-1

1882. 62238-29-3 1 0 0 Cyclohexane, 1-ethyl-1,3-dimethyl-, (E)- I.C-1

1883. 62238-30-6 1 0 0 Cyclohexane, 1-ethyl-1,4-dimethyl-, (Z)- I.C-1

1884. 62238-32-8 1 0 0 Cyclohexane, 1-ethyl-1,4-dimethyl-, (E)- I.C-1

1885. 1 0 0 Cyclohexane, 1-ethyl-2-propyl- I.C-1

1886. 608-73-1 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro- XVIII.B-3, XXI-3

1887. 319-84-6 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro- {α Lindane®}

XVIII.B-3, XXI-3

1888. 319-85-7 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro- {β Lindane®}

XVIII.B-3, XXI-3

1889. 58-89-9 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro-,

(1α,2α,3β,4α,5α,6β)- {γ-Lindane®}

XVIII.B-3, XXI-3

1890. 319-86-8 1 1 1 Cyclohexane, 1,2,3,4,5,6-hexachloro- {δ Lindane®}

XVIII.B-3, XXI-3

1891. 13828-34-7 1 0 0 Cyclohexane, 1-methyl-3-(1-methylethylidene)- I.C-1

1892. 1 0 0 Cyclohexane, 1-methyl-4-(1-methylethyl)- {p-menthane}

I.C-1

1893. 1 0 0 Cyclohexane, 1,2,4,5-tetraethyl- I.C-1

1894. 3073-66-3 1 0 0 Cyclohexane, 1,1,3-trimethyl- I.C-1

1895. 2043-61-0 0 1 0 Cyclohexanecarboxaldehyde III-12

1896. 34214-77-2 0 1 0 Cyclohexanecarboxylic acid, 3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]trihydroxy-

, (1α,3α,4α,5β)-

II.A-2, IV.A-3, IX.A-22

1897. 77-95-2

562-73-2

1 1 1 Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy- {quinic acid}

HO

HO

HO

OH

COOH

II.A-2, IV.A-3

1898. 36413-60-2 0 1 0 Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-,

(1α,3α,4α,5β)-

II.A-2, IV.A-3

74


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Selected structures

Chapter

Table

1899. 27044-07-1 0 1 0 Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, monoester with 3-(4-hydroxy-3-methoxyphenyl)-2-

propenoic acid, (1α,3α,4α,5β)-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1900. 1899-29-2 0 1 0 Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-

propenyl]oxy]-, (1α,3α,4α,5β)-

{3-O-feruloylquinic acid}

O

O

OCH3

OHHO

OH

OH

HOOC

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1901. 1899-30-5 0 1 0 Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [1S-

(1α,3α,4α,5β)]- {p-coumaroylquinic acid}

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1902. 2450-53-5 0 1 0 Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4-

dihydroxy-, [1R-(1α,3α,4α,5β)]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1903. 15016-60-1 0 1 0 Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-

trihydroxy-, [1R- [1α,3β(Z),4α,5α]]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2


trihydroxy-, [1R- [1α,3β(E),4α,5α]]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1905. 327-97-9

93451-46-8

1 1 1 Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-

trihydroxy-, [1S-(1α,3β,4α,5α)]-

{chlorogenic acid; 3-O-caffeoylquinic acid}

OH

OH

O

OH

OH

OH

HOOC

O

II.A-2, IV.A-3, V-3, IX.A-22, X-2, XXI-3


trihydroxy-, [1R-(1α,3α,4α,5β)]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1907. 1 1 1 Cyclohexanecarboxylic acid, 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-

{neochlorogenic acid; 5-O-caffeoylquinic acid

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1908. 55635-13-7 0 1 0 Cyclohexanecarboxylic acid, 2,2-dimethyl-2,4-dioxo-3-(1-((2-propenyloxy)amino)butylidene)-, methyl ester, sodium salt {Alloxydim-sodium®}

III-13, XXI-3

1909. 24321-18-4 0 1 0 Cyclohexanecarboxylic acid, 3-[[3-(3,4-dioxo-1,5-cyclohexadien-1-yl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1910. 70898-22-5 0 1 0 Cyclohexanecarboxylic acid, 3-[[3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-

(1α,3β,4α,5α)]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1911. 17608-52-5 0 1 0 Cyclohexanecarboxylic acid, 4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5-trihydroxy- {4-O-caffeoylquinic acid}

II.A-2, IV.A-3, V-3, IX.A-22, X-2


trihydroxy-, (1α,3α,4α,5β)-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1913. 82612-14-4 0 1 0 1,2-Cyclohexanediol, 4-[1-(acetyloxy)-1-

methylethyl]-1-methyl-, (1α,2β,4α)-(±)-

II.A-2, V-3

75


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Chapter

Table

1914. 112019-00-8 0 1 0 1,2-Cyclohexanediol, 2-(3-hydroxy-1-butenyl)-1,3,3-

trimethyl-, [1R-[1α,2α,2(1E,3S*)]]-

II.A-2

1915. 38713-11-0 0 1 0 1,2-Cyclohexanediol, 1,3,3-trimethyl- II.A-2

1916. 88663-71-2 0 1 0 1,4-Cyclohexanediol, 1-(1-hydroxy-1-methylethyl)-4-methyl-, 4-acetate, (E)-

HO

CH3

OH

CH3

CH3H3C-COO

II.A-2, V-3

1917. 88663-72-3 0 1 0 1,4-Cyclohexanediol, 1-(1-hydroxy-1-methylethyl)-4-methyl-, 4-acetate, (Z)-

II.A-2, V-3

1918. 59632-88-1 0 1 0 1,4-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 1-acetate, (Z)-

II.A-2

1919. 59632-87-0 0 1 0 1,4-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 1-acetate, (E)-

II.A-2

1920. 765-87-7 0 1 0 1,2-Cyclohexanedione O

O

III-13

1921. 1 0 0 1,2-Cyclohexanedione, 4-methyl- III-13

1922. 3008-43-3 0 1 0 1,2-Cyclohexanedione, 6-methyl- III-13

1923. 1919-64-8 0 1 0 1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl- III-13

1924. 1193-55-1 1 1 1 1,3-Cyclohexanedione, 2-methyl- III-13

1925. 637-88-7 1 1 1 1,4-Cyclohexanedione OO

III-13

1926. 20547-99-3 1 1 1 1,4-Cyclohexanedione, 2,2,6-trimethyl- {4-ketodihydroisophorone}

III-13

1927. 13487-27-9 0 1 0 Cyclohexanemethanol, α-methyl-, acetate CH3

OOC-CH3

V-3

1928. 639-99-6 0 1 0 Cyclohexanemethanol, 4-ethenyl-α,α,4-trimethyl-3-

(1-methylethenyl)-, [1R-(1α,3α,4β)]-

II.A-5

1929. 2451-01-6 1 0 0 Cyclohexanemethanol, 4-hydroxy-α,α,4-trimethyl-, monohydrate, cis- {terpin hydrate}

II.A-5

1930. 104153-60-8 0 1 0 1,2,3-Cyclohexanetriol, 1-methyl-4-(1-methylethyl)- II.A-5

1931. 108-93-0 1 0 0 Cyclohexanol II.A-5

1932. 60759-94-6 0 1 0 Cyclohexanol, 1-(3-hydroxy-1-butenyl)-2,2-dimethyl-6-methylene-

II.A-5

1933. 586-81-2 0 1 0 Cyclohexanol, 1-methyl-4-(1-methylethylidene)- II.A-5

1934. 10235-63-9 0 1 0 Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, acetate

V-3

1935. 22567-22-2 0 1 0 Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, [1R-

(1α,2α,5β)]-

II.A-5


(1α,2α,5α)]-

II.A-5

1937. 88437-32-5 0 1 0 Cyclohexanol, 4-(2-hydroxy-1-methylethylidene)-1-methyl-, 1-acetate

V-3


(1α,2β,5α)]-

II.A-5

76


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Chapter

Table

1939. 1490-04-6 0 1 0 Cyclohexanol, 5-methyl-2-(1-methylethyl)- II.A-5

1940. 89-78-1 1 1 1 Cyclohexanol, 5-methyl-2-(1-methylethyl)-,

(1α,2β,5α)- {menthol}

CH3

OH

CH3H3C

II.A-5

1941. 1 1 1 Cyclohexanol, 5-methyl-2-(1-methylethyl)-,

(1α,2β,5α)-14

C(U), labeled with 14

C {

14C-menthol (U)}

II.A-5

1942. 2216-51-5 0 1 0 Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-

(1α,2β,5α)]-

II.A-5

1943. 16409-45-3 0 1 0 Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate V-3

1944. 108-94-1 1 0 0 Cyclohexanone III-13

1945. 2816-57-1 0 1 0 Cyclohexanone, 2,6-dimethyl- III-13

1946. 71607-84-6 1 0 0 Cyclohexanone, ethenylmethyl- III-13

1947. 50874-76-5 0 1 0 Cyclohexanone, trimethyl- III-13

1948. 7500-42-7 0 1 0 Cyclohexanone, 2-hydroxy-2,6,6-trimethyl- II.A-5, III-13

1949. 38462-22-5 0 1 0 Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-

H3C

O

CH3

SH

CH3

III-13, XVIII.A-1

1950. 0 1 0 Cyclohexanone, 2-methyl- III-13

1951. 7764-50-3 1 0 0 Cyclohexanone, 2-methyl-5-(1-methylethenyl)- III-13

1952. 6909-25-7 0 1 0 Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2S-cis)-

III-13

1953. 5948-04-9 0 1 0 Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-

III-13

1954. 491-07-6 0 1 0 Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (E)- {dl-isomenthone}

III-13

1955. 0 1 0 Cyclohexanone, 2-(1-methylethyl)- {two isomers} III-13

1956. 15189-14-7 0 1 0 Cyclohexanone, 2,2,5,5-tetramethyl- III-13

1957. 2408-37-9 0 1 0 Cyclohexanone, 2,2,6-trimethyl-

{2,6,6-trimethylcyclohexanone}

III-13

1958. 0 1 0 Cyclohexanone, 2,4,4-trimethyl-3-(1-oxobutyl)- III-13

1959. 591-24-2 1 0 0 Cyclohexanone, 3-methyl- III-13

1960. 60026-21-3 0 1 0 Cyclohexanone, 3,3,5-trimethyl-4-(3-oxo-1-butenyl)- III-13

1961. 123716-12-1 1 0 0 Cyclohexanone, 4-(1-methylethyl)-3-(2-oxopropyl)- III-13

1962. 72491-45-3 0 1 0 Cyclohexanone, 4-(2-butenylidene)-3,3,5-trimethyl- III-13

1963. 20548-02-1 0 1 0 Cyclohexanone, 4-hydroxy-2,2,6-trimethyl- III-13

1964. 20548-03-2 0 1 0 Cyclohexanone, 4-hydroxy-3,3,5-trimethyl- III-13

1965. 529-00-0 0 1 0 Cyclohexanone, 5-methyl-2-(1-methylethenyl)- {isopulegone}

III-13

1966. 89-80-5 1 1 1 Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans- {menthone}

III-13

1967. 89-82-7 0 1 0 Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (R)- {pulegone}

III-13

77


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Chapter

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1968. 110-83-8 1 0 0 Cyclohexene I.C-1

1969. 74423-06-6 0 1 0 Cyclohexene, 2-(1,3-butadienyl)-1,3,3-trimethyl-, (E)- {megastigmatriene}

H3C CH3

CH3

CH2

I.C-1

1970. 70941-91-2 0 1 0 Cyclohexene, 6-(3,7-dimethyl-1,3,5,7-octatetraenyl)-1,5,5-trimethyl-, (E,E,E)-

I.C-1

1971. 495-62-5 0 1 0 Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1-methyl- {bisabolene}

I.C-1

1972. 25168-07-4 0 1 0 Cyclohexene, ethenyl- I.C-1

1973. 1 0 0 Cyclohexene, 3-ethenyl-1,3-di(4',8',12'-trimethyltridecyl)-

I.C-1

1974. 100-40-3 1 0 0 Cyclohexene, 4-ethenyl- I.C-1

1975. 20307-84-0 0 1 0 Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)- {δ-elemene}

I.C-1

1976. 1 0 0 Cyclohexene, 4-ethenyl-1,4-di(4',8',12'-trimethyltridecyl)-

I.C-1

1977. 1611-21-8 1 0 0 Cyclohexene, 5-ethenyl-1,5-dimethyl- I.C-1

1978. 591-49-1 1 0 0 Cyclohexene, 1-methyl- I.C-1

1979. 38738-60-2 1 0 0 Cyclohexene, 1-methyl-3-(1-methylethenyl)- {sylvestrene}

I.C-1

1980. 138-86-3 1 1 1 Cyclohexene, 1-methyl-4-(1-methylethenyl)-

{limonene; p-mentha-1,8-diene}

I.C-1

1981. 5989-27-5 1 0 0 Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- {d-limonene}

I.C-1

1982. 5502-88-5 1 1 1 Cyclohexene, 1-methyl-4-(1-methylethyl)- I.C-1

1983. 586-62-9 0 1 0 Cyclohexene, 1-methyl-4-(1-methylethylidene)- {terpinolene}

I.C-1

1984. 1461-27-4 0 1 0 Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)- I.C-1

1985. 1 0 0 Cyclohexene, 3-methyl- I.C-1

1986. 586-67-4 1 0 0 Cyclohexene, 4-methyl-1-(1-methylethenyl)- {3,8-menthadiene}

I.C-1

1987. 5256-65-5 1 0 0 Cyclohexene, 3-methyl-6-(1-methylethyl)- I.C-1

1988. 23733-91-7 0 1 0 Cyclohexene, 3-methylene-4-(1-methylethenyl)-, (R)-

I.C-1

1989. 1 0 0 Cyclohexene, 3-(1"-methylene-5",9",13"-trimethyltetradecyl)-1-(4',8',12'-trimethyltridecyl)-

I.C-1

1990. 1 0 0 Cyclohexene, 4-(1"-methylene-5",9",13"-trimethyltetradecyl)-1-(4',8',12'-trimethyltridecyl)-

I.C-1

1991. 1192-88-7 1 0 0 1-Cyclohexene-1-carboxaldehyde III-12

1992. 432-25-7 0 1 0 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl- {β-cyclocitral}

III-12

1993. 471-90-9 0 1 0 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl- {cyclogeranic acid}

IV.A-3

1994. 138-59-0 0 1 0 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-,

[3R-(3α,4α,5β)]- {shikimic acid}

II.A-5, IV.A-3

78


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Chapter

Table

1995. 6082-44-6 0 1 0 1-Cyclohexene-1-carboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-

dihydroxy-, (3α,4α,5β)-

II.A-5, IV.A-3, V-3, IX.A-22

1996. 38073-89-1 0 1 0 3-Cyclohexene-1-carboxylic acid, 6-(1-methylethyl)-, cis-

IV.A-3

1997. 19894-91-8 0 1 0 1-Cyclohexene-1,4-dimethanol, α4,α4-dimethyl-, (S)-

II.A-5

1998. 1 1 1 2-Cyclohexene, 1-(2-oxopropyl) 3,5,5-trimethyl- III-13

1999. 35692-98-9 0 1 0 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl- II.A-5, III-13

2000. 1125-21-9 1 1 1 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl- {4-ketoisophorone; 4-oxoisophorone}

III-13

2001. 88663-73-4 0 1 0 1-Cyclohexene-1-methanol, 4-(acetyloxy)-α,α,4-trimethyl-

II.A-5, V-3

2002. 42370-41-2 0 1 0 3-Cyclohexene-1-methanol, 5-hydroxy-α,α,4-trimethyl-, trans-

II.A-5

2003. 498-71-5 0 1 0 3-Cyclohexene-1-methanol, 5-hydroxy-α,α,4-trimethyl-

II.A-5

2004. 98-55-5

1 1 1 3-Cyclohexene-1-methanol, α,α,4-trimethyl-

{α-terpineol}

CH3

OH

CH3

H3C

II.A-5

2005. 10482-56-1 1 1 1 3-Cyclohexene-1-methanol, α,α,4-trimethyl-, (S)- II.A-5

2006. 80-26-2 1 1 1 3-Cyclohexene-1-methanol, α,α,4-trimethyl-,

acetate {α-terpinyl acetate}

II.A-5, V-3

2007. 822-67-3 1 1 1 2-Cyclohexen-1-ol II.A-5

2008. 536-30-1 0 1 0 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, (1S-Z)-

II.A-5

2009. 27185-80-4 0 1 0 2-Cyclohexen-1-ol, 3-(3-hydroxy-1-butenyl)-2,4,4-trimethyl-

II.A-5

2010. 470-99-5 0 1 0 2-Cyclohexen-1-ol, 3,5,5-trimethyl- {isophorol} II.A-5

2011. 0 1 0 2-Cyclohexen-1-ol, 3,5,5-trimethyl-4-methylene- II.A-5

2012. 13215-90-2 0 1 0 2-Cyclohexen-1-ol, 4-(2-butenylidene)-3,5,5-trimethyl- {megastigmatrienol}

II.A-5


OH

CH3

CH3HO

H3C CH3

1

2

3

45

CH3

OH

HO CH3

CH3H3C

3

4

5

6

7

8

9

Nomenclature by Enzell et al.

. II.A-5

2014. 68831-80-1 0 1 0 2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-

trimethyl-, [1S-[1α,4α(1E,3S*)]]-

II.A-5

2015. 68831-81-2 0 1 0 2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-

trimethyl-, [1S-[1α,4α(1E,3R*)]]-

II.A-5

79


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Chapter

Table

2016. 78830-91-8 0 1 0 3-Cyclohexen-1-ol, 1-(3-hydroxy-1-butenyl)-6,6-dimethyl-2-methylene-

CH3

CH3

CH2

H3C

OH

OH

1

2

6

4

5

3

II.A-5


H3C CH3

OH

CH3

CH3HO

II.A-5

2018. 121269-03-2 0 1 0 3-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, (E)-

II.A-5

2019. 31162-45-5

58023-72-6

1 1 1 3-Cyclohexen-1-ol, 4-(3-hydroxy-1-butynyl)-3,5,5-trimethyl-

HO

OH

II.A-5

2020. 562-74-3 1 1 1 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- {4-carvomenthol}

II.A-5

2021. 23811-18-9 0 1 0 3-Cyclohexen-1-ol, 3,5,5-trimethyl-, (±)- II.A-5

2022. 930-68-7 1 1 1 2-Cyclohexen-1-one III-13

2023. 74051-80-2 0 1 0 2-Cyclohexen-1-one, 2-[1-(ethoximino)butyl]-5-[2-(ethylthio)-propyl]-3-hydroxy- {Sethoxydim®}

II.A-5, III-13, XXI-3

2024. 10316-66-2 1 0 0 2-Cyclohexen-1-one, 2-hydroxy- II.A-5, III-13

2025. 490-03-9 0 1 0 2-Cyclohexen-1-one, 2-hydroxy-3-methyl- {diosphenol}

II.A-5, III-13

2026. 65310-49-1 1 0 0 2-Cyclohexen-1-one, 2-hydroxy-3-propyl- II.A-5, III-13

2027. 1121-18-2 1 0 0 2-Cyclohexen-1-one, 2-methyl- III-13

2028. 99-49-0 1 1 1 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)- {l-carvone}

III-13

2029. 2244-16-8 0 1 0 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)- {d-carvone}

III-13

2030. 1 0 0 2-Cyclohexen-1-one, 2-propyl-3-methyl- {2 isomers}

III-13

2031. 1 0 0 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(1,3-butadienyl)-

III-13

2032. 27185-77-9 0 1 0 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-

III-13

2033. 20013-73-4 0 1 0 2-Cyclohexen-1-one, 2,6,6-trimethyl- III-13

2034. 5220-49-5 1 0 0 2-Cyclohexen-1-one, 3-amino- III-13, XII-2

2035. 67401-25-6 0 1 0 2-Cyclohexen-1-one, 3-(2-butenyl)-2,4,4-trimethyl-, (Z)-

III-13

2036. 1193-18-6 1 0 0 2-Cyclohexen-1-one, 3-methyl- III-13

2037. 89-81-6 0 1 0 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- {D-piperitone}

III-13

2038. 0 1 0 2-Cyclohexen-1-one, 3-methyl-2-(1,3-pentadienyl)- III-13

2039. 78-59-1 1 1 1 2-Cyclohexen-1-one, 3,5,5-trimethyl- {isophorone}

III-13

2040. 133304-85-5 1 0 0 2-Cyclohexen-1-one, 3,4-dimethyl-2-hydroxy- II.A-5, III-13

80


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2043. 41577-83-7 1 0 0 2-Cyclohexen-1-one, 3-ethyl-2-hydroxy- II.A-5, III-13

2044. 51771-56-3 1 1 1 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(1-methylethenyl)-

III-13

2045. 53398-09-7 0 1 0 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(1-oxo-2-butenyl)-

III-13

2046. 60026-25-7 1 1 1 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(1-propenyl)- III-13

2047. 33601-06-8 0 1 0 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, (R)-(+)-

III-13

2048. 20548-00-9 0 1 0 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene- {methyleneisophorone}

III-13

2049. 5896-02-6 1 1 1 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-trimethyl-

O

III-13

2050. 38818-55-2 1 0 0 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-trimethyl-, (E)-

III-13

2051. 77761-55-8 0 1 0 2-Cyclohexen-1-one, 4-(2,3-dihydroxybutylidene)-3,5,5-trimethyl-

II.A-5, III-13

2052. 77842-24-1 0 1 0 2-Cyclohexen-1-one, 4-(2,3-dihydroxybutylidene)-3,5,5-trimethyl- {isomer}

II.A-5, III-13

2053. 1 0 0 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-triethyl-

III-13

2054. 5896-02-6 1 0 0 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-trimethyl-

III-13

2055. 1 0 0 2-Cyclohexen-1-one, 4-(2-butenyl)-3,5,5-trimethyl- III-13

2056. 13215-88-8 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-

III-13

2057. 5164-78-3 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (E,E)-

{megastigmatrienone} {trans-, trans-K1a} O

III-13

2058. 5298-13-5 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (E,Z)- {trans-,cis-K2a}

III-13

2059. 5492-79-5 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (Z,E)- {cis-, trans-K1b}

III-13

2060. 5164-79-4 1 1 1 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (Z,Z)- {cis-, cis-K2b}

III-13

2061. 1 1 1 2-Cyclohexen-1-one, 4-(3-butenylidene)-3,5,5-trimethyl-

III-13

2062. 0 1 0 2-Cyclohexen-1-one, 4-ethyl- III-13

2063. 62512-22-5 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)-1-butenyl]-3,5,5-trimethyl-

II.A-5, III-13, X-2

2064. 77699-19-5 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)-1-butenyl]-3,5,5-trimethyl-, [R-[R*,R*-(E)]]-

II.A-5, III-13, X-2

2065. 159813-37-3 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)-1-butenyl]-3,5,5-trimethyl-, [4R-[4R*(1E,3S*)]]-

II.A-5, III-13, X-2

81


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Chapter

Table

2066. 54835-70-0 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)-1-butenyl]-4-hydroxy-3,5,5-trimethyl-, [R-[R*,S*-(E)]]-

II.A-5, III-13, X-2

2067. 62512-23-6 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)butyl]-3,5,5-trimethyl-

II.A-5, III-13, X-2

2068. 91048-13-4 0 1 0 2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)butylidene]-3,5,5-trimethyl-

II.A-5, III-13, X-2

2069. 34318-21-3 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-

trimethyl- {4-keto-α-ionol} H3C CH3

OH

CH3

CH3O

II.A-5, III-13

2070. 52210-15-8 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, [R-[R*,R*-(E)]]-

II.A-5, III-13

2071. 68759-08-0 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-, [S-[R*,S*-(E)]]-

II.A-5, III-13

2072. 60047-19-0 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5-

trimethyl- {4-ketodihydro-α-ionol}

II.A-5, III-13

2073. 36151-02-7 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5-trimethyl-, [R-(R*,R*)]-

II.A-5, III-13

2074. 60026-24-6 1 1 1 2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5-trimethyl-

II.A-5, III-13

2075. 19620-37-2 0 1 0 2-Cyclohexen-1-one, 4-hydroxy-2,6,6-trimethyl- II.A-5, III-13

2076. 14203-59-9 0 1 0 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl- II.A-5, III-13

2077. 24427-77-8 1 0 0 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl- {vomifoliol}

II.A-5, III-13

2078. 0 1 0 2-Cyclohexen-1-one, 4-(1-methylethyl)- III-13

2079. 51171-72-3 1 0 0 2-Cyclohexen-1-one, 4-phenyl- III-13

2080. 1073-13-8 1 0 0 2-Cyclohexen-1-one, 4,4-dimethyl- III-13

2081. 5715-25-3 0 1 0 2-Cyclohexen-1-one, 4,5-dimethyl- III-13

2082. 7712-46-1 0 1 0 2-Cyclohexen-1-one, 5-(1-hydroxy-1-methylethyl)-2-methyl-

O

OH

II.A-5, III-13

2083. 56691-69-1 0 1 0 2-Cyclohexen-1-one, 5-[1-(acetyloxy)-1-methylethyl]-2-methyl-, (R)-

III-13, V-3

2084. 499-74-1 1 0 0 2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)- III-13

2085. 4096-34-8 1 0 0 3-Cyclohexen-1-one III-13

2086. 0 1 0 3-Cyclohexen-1-one, 4-(1-butenyl)-3,5,5-trimethyl- III-13

2087. 471-01-2 1 0 0 3-Cyclohexen-1-one, 3,5,5-trimethyl- III-13

2088. 4657-58-3 0 1 0 9,19-Cyclolanostan-3-ol, (3β)- II.B-2

2089. 26955-76-0 0 1 0 9,19-Cyclolanostan-3-ol, 24,25-epoxy-, (3β)- II.B-2

2090. 1449-09-8 0 1 0 9,19-Cyclolanostan-3-ol, 24-methylene-, (3β)- II.B-2

2091. 469-38-5 1 0 0 9,19-Cyclolanost-24-en-3-ol, (3β)- {cycloartenol}

HO

H3C CH3

CH3

CH3

CH3

CH3

CH3

II.B-2

82


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Table

2092. 25692-13-1 0 1 0 9,19-Cyclolanost-24-en-3-ol, 24-methyl-, (3β)- II.B-2

2093. 51088-90-5 0 1 0 9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3β,24S)- II.B-2

2094. 511-61-5 0 1 0 9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3β,24S)- II.B-2

2095. 124713-05-9 0 1 0 9,19-Cyclolanost-5-en-3-ol, 24-methylene-, (3β)- II.B-2

2096. 629-20-9 1 0 0 1,3,5,7-Cyclooctatetraene

I.C-1

2097. 149331-19-1 0 1 0 Cyclononane, 1,1,4,4,7,7-hexamethyl- I.C-1

2098. 202-98-2 1 0 0 4H-Cyclopenta[def]chrysene {4,5-methylenechrysene}

I.E-6

2099. 126458-49-9 0 1 0 4H-Cyclopenta[3',4']cycloocta[1',2':1,5]cyclopent[1,2-b]oxiren-4-one, 1,2,2a,5,6,8,9,10,10a,10b-decahydro-2,6,10a-trimethyl-8-(1-methylethyl)-,

[2aS-(2aα,3aS*,6β,8β,10aβ,10bβ)]-

III-13

2100. 86154-08-7 0 1 0 4H-Cyclopenta[3',4']cycloocta[1',2':1,5]cyclopent[1,2-b]oxiren-4-one, 1,2,2a,7,7a,8,9,10,10a,10b-decahydro-2a,6,10a-trimethyl-8-(1-methylethyl)-,

(2aα,3aR*,7aβ,8β,10aβ,10bβ)-

III-13

2101. 142750-43-4 0 1 0 Cyclopentacycloundecene, tetradecahydro-1,4,8-trimethyl-11-(1-methylethyl)-

I.C-1

2102. 142750-40-1 0 1 0 4,10(1H,5H)-Cyclopentacycloundecenedione, 2,3,3a,6,7,11,12,12a-octahydro-1,3,12-trihydroxy-3,8,12-trimethyl-5-(1-methylethyl)-, (1R*,3S*,3aR*,5S*,8Z,12R*,12aR*)-(-)-

III-13

2103. 541-91-3 0 1 0 Cyclopentadecanone, 3-methyl- III-13

2104. 542-92-7 1 0 0 1,3-Cyclopentadiene {pyropentylene}

I.C-1

2105. 1 0 0 1,3-Cyclopentadiene, dimethyl- I.C-1

2106. 26519-92-6 1 0 0 1,3-Cyclopentadiene, ethyl- I.C-1

2107. 26519-91-5 1 0 0 1,3-Cyclopentadiene, methyl- I.C-1

2108. 33320-27-3 1 0 0 1,3-Cyclopentadiene-1-carboxaldehyde III-12

2109. 4784-86-5 1 0 0 1,3-Cyclopentadiene, 1,2-dimethyl- I.C-1

2110. 4045-53-8 1 0 0 1,3-Cyclopentadiene, 1,3-dimethyl- I.C-1

2111. 96-39-9 1 0 0 1,3-Cyclopentadiene, 1-methyl- I.C-1

2112. 96-38-8 1 0 0 1,3-Cyclopentadiene, 5-methyl- I.C-1

2113. 497-20-1 1 0 0 1,3-Cyclopentadiene, 5-methylene- {fulvene} I.C-1

2114. 1 0 0 2,4-Cyclopentadien-1-one, 2,3-dimethyl-4-hydroxy- II.A-5, III-13

2115. 94618-71-0 1 0 0 2,4-Cyclopentadien-1-one, 2-methyl- III-13

83


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Chapter

Table

2116. 193-54-4 1 0 0 Cyclopenta[cd]fluoranthene

I.E-6

2117. 0 1 0 Cyclopenta[b]furan, 3-acetyl-4-pentyl-

O

COCH3C5H11

III-13, X-2

2118. 1 1 1 Cyclopenta[b]furan-6-one, 4,5-dihydro-2-methyl-

O

O

CH3

III-13, X-2

2119. 1162-65-8 0 1 0 Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)- {aflatoxin B1}

OCH3

O

OO

O

O

III-13, VI-3, X-2

2120. 7220-81-7 0 1 0 Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-4-methoxy-, (6aR-cis)- {aflatoxin B2}

III-13, VI-3, X-2

2121. 287-92-3 1 0 0 Cyclopentane {pentamethylene} I.C-1

2122. 2452-99-5 1 0 0 Cyclopentane, 1,2-dimethyl-, cis- I.C-1

2123. 822-50-4 1 0 0 Cyclopentane, 1,2-dimethyl-, trans- I.C-1

2124. 96-37-7 1 0 0 Cyclopentane, methyl- I.C-1

2125. 53366-54-4 1 0 0 Cyclopentane, (2-methylbutylidene)- I.C-1

2126. 53366-58-8 1 0 0 Cyclopentane, (2-methylpropylidene)- I.C-1

2127. 79637-61-9 1 0 0 Cyclopentane, propenyl- I.C-1

2128. 1 0 0 Cyclopentane, propyl- I.C-1

2129. 30498-64-7 1 0 0 Cyclopentane, trimethyl- I.C-1

2130. 20497-93-2 0 1 0 Cyclopentanecarboxaldehyde, 2-hydroxy-1-methyl-

{2 isomers}

III-12

2131. 3400-45-1 0 1 0 Cyclopentanecarboxylic acid

{cyclopentanoic acid}

IV.A-3

2132. 38655-27-5 0 1 0 Cyclopentanecarboxylic acid, 1-methyl-3-(1-methylethenyl)-

IV.A-3

2133. 66016-71-5 0 1 0 1,2-Cyclopentanedicarboxylic acid, 1-methyl-3-(1-methylethyl)-

IV.A-3

2134. 28473-29-2 1 0 0 Cyclopentanedione {2 isomers} III-13

2135. 3008-40-0 1 1 1 1,2-Cyclopentanedione III-13

2136. 0 1 0 1,2-Cyclopentanedione, 4-acetyl- III-13

2137. 1 0 0 1,2-Cyclopentanedione, 3,4-diethyl- III-13

2138. 54362-49-1 1 0 0 1,2-Cyclopentanedione, 3,5-diethyl- III-13

2139. 72692-92-3 1 1 1 1,2-Cyclopentanedione, 3,3-dimethyl- III-13



84


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Chapter

Table

2142. 13494-08-1 1 0 0 1,2-Cyclopentanedione, 3-ethyl- III-13

2143. 1 0 0 1,2-Cyclopentanedione, 3-ethyl-3-methyl- III-13

2144. 1 0 0 1,2-Cyclopentanedione, 3-ethyl-4-methyl- III-13

2145. 71608-11-2 1 0 0 1,2-Cyclopentanedione, 3-ethyl-5-methyl- = 1,2-Cyclopentanedione, 5-ethyl-3-methyl-

III-13

2146. 1 0 0 1,2-Cyclopentanedione, hydroxy- II.A-5, III-13

2147. 765-70-8 1 1 1 1,2-Cyclopentanedione, 3-methyl- {cyclotene} III-13

2148. 60386-55-2 1 0 0 1,2-Cyclopentanedione, 3-(1-methylethyl)- III-13

2149. 72693-09-5 1 0 0 1,2-Cyclopentanedione, 4-(1-methylethyl)- III-13

2150. 71608-12-3 1 0 0 1,2-Cyclopentanedione, 3-methyl-5-propyl- III-13

2151. 69745-71-7 1 0 0 1,2-Cyclopentanedione, 3-phenyl- III-13

2152. 4542-64-7 1 0 0 1,2-Cyclopentanedione, 4-phenyl- III-13

2153. 23747-37-7 1 0 0 1,2-Cyclopentanedione, 3-propyl- III-13

2154. 3859-41-4 0 1 0 1,3-Cyclopentanedione III-13


2156. 823-36-9 1 0 0 1,3-Cyclopentanedione, 2-ethyl- III-13

2157. 765-69-5 1 0 0 1,3-Cyclopentanedione, 2-methyl- III-13

2158. 120-92-3 1 1 1 Cyclopentanone {adipic ketone} III-13

2159. 55713-44-5 0 1 0 Cyclopentanone, 2,2-dimethyl-4-(2-oxopropyl)- III-13

2160. 4041-09-2 1 0 0 Cyclopentanone, 2,5-dimethyl- III-13

2161. 4971-18-0 1 0 0 Cyclopentanone, 2-ethyl- III-13

2162. 10264-55-8 1 0 0 Cyclopentanone, 3-ethyl- III-13

2163. 1 0 0 Cyclopentanone, 2-ethylidene- III-13

2164. 1 0 0 Cyclopentanone, 2-hydroxy- III-13

2165. 28631-88-1 1 0 0 Cyclopentanone, methyl- III-13

2166. 1120-72-5 1 0 0 Cyclopentanone, 2-methyl- III-13

2167. 1 0 0 Cyclopentanone, 2-(1-methylpropyl)- III-13

2168. 1757-42-2 1 0 0 Cyclopentanone, 3-methyl- III-13

2169. 189-01-5 1 0 0 Cyclopenta[cd]perylene

I.E-6

2170. 1 0 0 Cyclopenta[cd]perylene, methyl- I.E-6

2171. 211-95-0 1 0 0 Cyclopenta[a]phenalene

I.E-6

2172. 1 0 0 Cyclopentaphenanthrene {at least 2 isomers in MSS}

I.E-6

2173. 1 0 0 Cyclopentaphenanthrene, methyl- {at least 2 isomers in MSS}

I.E-6

85


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Chapter

Table

2174. 219-07-8 1 0 0 15H-Cyclopenta[a]phenanthrene

I.E-6

2175. 482-66-6 1 0 0 15H-Cyclopenta[a]phenanthrene, 16,17-dihydro- I.E-6

2176. 219-08-9 1 0 0 17H-Cyclopenta[a]phenanthrene

I.E-6

2177. 71277-92-4 1 0 0 17H-Cyclopenta[a]phenanthrene, ethyl- I.E-6

2178. 71277-93-5 1 0 0 17H-Cyclopenta[a]phenanthrene, methyl- I.E-6

2179. 203-64-5 1 0 0 4H-Cyclopenta[def]phenanthrene

{4,5-methylenephenanthrene}

I.E-6

2180. 71277-91-3 1 0 0 4H-Cyclopenta[def]phenanthrene, dimethyl- I.E-6

2181. 65319-51-9 1 0 0 4H-Cyclopenta[def]phenanthrene, ethyl- I.E-6

2182. 58548-39-3 1 0 0 4H-Cyclopenta[def]phenanthrene, methyl- I.E-6

2183. 1 0 0 Cyclopenta[l]phenanthrene, dihydro-

I.E-6

2184. 25042-83-5 1 0 0 5H-Cyclopentapyrazine N

N1

2

3

45

6

7

XVII.E-6

2185. 38917-63-4 1 0 0 5H-Cyclopentapyrazine, 6,7-dihydro-2,3-dimethyl- XVII.E-6

2186. 1 0 0 5H-Cyclopentapyrazine, 6,7-dihydro-5,7-dimethyl- XVII.E-6

2187. 38917-60-1 1 0 0 5H-Cyclopentapyrazine, 6,7-dihydro-2-ethyl- XVII.E-6

2188. 23747-46-8 1 1 1 5H-Cyclopentapyrazine, 6,7-dihydro-2-methyl- XVII.E-6

2189. 23747-48-0 1 1 1 5H-Cyclopentapyrazine, 6,7-dihydro-5-methyl- XVII.E-6

2190. 61891-57-4 1 0 0 5H-Cyclopentapyrazine, dimethyl- XVII.E-6

2191. 42315-22-0 1 0 0 Cyclopenta[a]pyrene

I.E-6

2192. 1 0 0 Cyclopenta[a]pyrene, 3,4-dihydro-

{sometimes listed as 3,4-trimethylenepyrene}

I.E-6

2193. 1 0 0 Cyclopenta[a]pyrene, 3,4-dihydromethyl- I.E-6

2194. 27208-37-3 1 0 0 Cyclopenta[cd]pyrene

I.E-6

86


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Chapter

Table

2195. 25732-74-5 1 0 0 Cyclopenta[cd]pyrene, 3,4-dihydro- I.E-6

2196. 64760-18-5 1 0 0 Cyclopenta[cd]pyrene, 3,4-dihydromethyl- I.E-6

2197. 23992-32-7 1 0 0 4H-Cyclopenta[def]triphenylene {4,5-methylenetriphenylene}

I.E-6

2198. 142-29-0 1 0 0 Cyclopentene

I.C-1

2199. 0 1 0 Cyclopentene, 2-acetyl-4-hydroxy-4-(1-methylethyl)- II.A-5, III-13

2200. 0 1 0 Cyclopentene, 2,3-diacetyl-1-(1-methylethyl)- H3C CH3

CO-CH3

CO-CH3

12

34

III-13

2201. 0 1 0 Cyclopentene, 2,3-diacetyl-4-(1-methylethyl)- H3C CH3

CO-CH3

CO-CH3

12

34

III-13

2202. 1 0 0 Cyclopentene, ethenyl- I.C-1

2203. 28638-58-6 1 0 0 Cyclopentene, 1-ethenyl- I.C-1

2204. 1 0 0 Cyclopentene, ethyl- I.C-1

2205. 2146-38-5 1 0 0 Cyclopentene, 1-ethyl- I.C-1

2206. 693-89-0 1 0 0 Cyclopentene, 1-methyl- I.C-1



2209. 3074-61-1 1 0 0 Cyclopentene, 1-propyl- I.C-1

2210. 56169-12-1 0 1 0 1-Cyclopentene-1-carboxylic acid, 2-methyl-5-(1-methylethyl)-

COOHCH3

CH3

H3C

IV.A-3

2211. 28750-51-8 1 0 0 3-Cyclopentene-1,2-dione III-13

2212. 1 0 0 3-Cyclopentene-1,2-dione, 3,4-dimethyl- III-13

2213. 2687-69-6 1 0 0 3-Cyclopentene-1,2-dione, 3,5-dimethyl- III-13

2214. 1 0 0 3-Cyclopentene-1,2-dione, 3-ethyl-4-methyl- III-13

2215. 10130-95-7 1 0 0 3-Cyclopentene-1,2-dione, 3-methyl- III-13

2216. 66309-79-3 1 0 0 3-Cyclopentene-1,2-dione, 4-methyl- III-13

2217. 930-60-9 0 1 0 4-Cyclopentene-1,3-dione III-13

2218. 18515-43-0 1 0 0 4-Cyclopentene-1,3-dione, 4,5-dimethyl- III-13

2219. 53109-18-5 0 1 0 1-Cyclopentene-1-pentanoic acid, δ-hydroxy-3,5-

bis(1-methylpropyl)-β-oxo-

III-13

2220. 28982-58-3 1 0 0 Cyclopentenone III-13

2221. 930-30-3 1 0 0 2-Cyclopenten-1-one {cyclopenten-3-one} III-13

2222. 24105-07-5 1 0 0 2-Cyclopenten-1-one, C3-alkyl- III-13

87


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Chapter

Table

2223. 1 0 0 2-Cyclopenten-1-one, C4-alkyl- III-13

2224. 72692-71-8 1 0 0 2-Cyclopenten-1-one, dimethyl- III-13

2225. 61205-39-8 1 0 0 2-Cyclopenten-1-one, ethyl-2-hydroxy- II.A-5, III-13

2226. 21835-01-8 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy- II.A-5, III-13

2227. 1 0 0 2-Cyclopenten-1-one, ethyl-methyl- III-13

2228. 1 0 0 2-Cyclopenten-1-one, methyl- III-13

2229. 1 0 0 2-Cyclopenten-1-one, phenyl- III-13

2230. 1 0 0 2-Cyclopenten-1-one, trimethyl- III-13

2231. 17190-74-8 0 1 0 2-Cyclopenten-1-one, 2-(2-butenyl)-4-hydroxy-3-methyl-

II.A-5, III-13

2232. 78210-65-8 1 0 0 2-Cyclopenten-1-one, 2-(2-furanyl)- III-13, X-2

2233. 61892-84-0 1 0 0 2-Cyclopenten-1-one, 2-(2-oxopropyl)- III-13

2234. 80-72-8 1 0 0 2-Cyclopenten-1-one, 2,3-dihydroxy- {reductic acid} OHO

OH

II.A-5, III-13

2235. 1121-05-7 1 1 1 2-Cyclopenten-1-one, 2,3-dimethyl- III-13

2236. 3779-64-4 1 0 0 2-Cyclopenten-1-one, 2,3-dimethyl-4-(1-methylethyl)-

III-13


III-13

2238. 28790-86-5 1 0 0 2-Cyclopenten-1-one, 2,3,4-trimethyl- III-13





2243. 2931-10-4 1 0 0 2-Cyclopenten-1-one, 2-ethyl- III-13

2244. 5682-72-4 1 0 0 2-Cyclopenten-1-one, 2-ethyl-3-methyl- III-13


2246. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy- II.A-5, III-13

2247. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(1-butyl)- II.A-5, III-13

2248. 80-71-7 1 1 1 2-Cyclopenten-1-one, 2-hydroxy-3-methyl- {methylcyclopentenolone}

II.A-5, III-13

2249. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(2-methylbutyl)- II.A-5, III-13

2250. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(3-methylbutyl)- II.A-5, III-13

2251. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-4-(1-methylethyl)-

II.A-5, III-13

2252. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl)- II.A-5, III-13

2253. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylpropyl)- II.A-5, III-13

2254. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-(2-methylpropyl)- II.A-5, III-13

2255. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-methyl-4-propyl- II.A-5, III-13


2257. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-4-methyl- II.A-5, III-13


2259. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-pentyl- II.A-5, III-13

88


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Chapter

Table

2260. 25684-04-2 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3-propyl- II.A-5, III-13

2261. 82147-26-0 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-4-propyl- II.A-5, III-13

2262. 61205-40-1 1 1 1 2-Cyclopenten-1-one, 2-hydroxypropyl- II.A-5, III-13

2263. 1 0 0 2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl- II.A-5, III-13

2264. 1 0 0 2-Cyclopenten-1-one, 2-methoxy- III-13, X-2

2265. 14189-85-6 1 0 0 2-Cyclopenten-1-one, 2-methoxy-3-methyl- III-13, X-2

2266. 1120-73-6 1 0 0 2-Cyclopenten-1-one, 2-methyl- III-13

2267. 5760-58-7 1 0 0 2-Cyclopenten-1-one, 2-methyl-3-propyl- III-13

2268. 61892-83-9 1 0 0 2-Cyclopenten-1-one, 2-methyl-4-(1-methylethyl)- III-13

2269. 31089-17-5 1 0 0 2-Cyclopenten-1-one, 2-methyl-5-(1-methylethyl)- III-13

2270. 66309-80-6 1 0 0 2-Cyclopenten-1-one, 2-methyl-5-methylene- III-13

2271. 24105-07-5 1 0 0 2-Cyclopenten-1-one, 2-propyl- III-13

2272. 1 0 0 2-Cyclopenten-1-one, 3-(2-furanyl)- III-13

2273. 1619-28-9 1 0 0 2-Cyclopenten-1-one, 3-(1-methylethyl)- III-13

2274. 1 0 0 2-Cyclopenten-1-one, 3,4-diethyl-2-hydroxy- II.A-5, III-13


2276. 1 0 0 2-Cyclopenten-1-one, 3,4-dimethyl-2-hydroxy- II.A-5, III-13


III-13

2278. 1 0 0 2-Cyclopenten-1-one, 3,5-diethyl-2-hydroxy- II.A-5, III-13


2280. 1 0 0 2-Cyclopenten-1-one, 3,5-dimethyl-2-4-ethyl-hydroxy-

II.A-5, III-13

2281. 1 0 0 2-Cyclopenten-1-one, 3,5-dimethyl-2-hydroxy- II.A-5, III-13

2282. 0 1 0 2-Cyclopenten-1-one, 3,5-dimethyl-2-(1-methylethyl)-

III-13

2283. 5682-69-9 1 0 0 2-Cyclopenten-1-one, 3-ethyl- III-13

2284. 21835-01-8 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy- {ethylcyclopentenolone}

II.A-5, III-13

2285. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl- II.A-5, III-13


2287. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-2-methoxy- III-13


2289. 78210-63-6 1 0 0 2-Cyclopenten-1-one, 3-ethyl-4-hydroxy- III-13

2290. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-4-methyl- III-13

2291. 1 0 0 2-Cyclopenten-1-one, 3-ethyl-5-methyl- III-13

2292. 5870-63-3 0 1 0 2-Cyclopenten-1-one, 3-hydroxy-2-methyl- II.A-5, III-13


2294. 3727-35-3 1 1 1 2-Cyclopenten-1-one, 3-methyl-2-(2-oxopropyl)- III-13

2295. 1 0 0 2-Cyclopenten-1-one, 3-methyl-2-(1,3-pentadienyl)- III-13

2296. 488-10-8 0 1 0 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)- III-13

2297. 1 0 0 2-Cyclopenten-1-one, 3-(2-oxopropyl)- III-13

2298. 3810-26-2 1 0 0 2-Cyclopenten-1-one, 3-phenyl- III-13

89


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Chapter

Table

2299. 35953-18-5 1 0 0 2-Cyclopenten-1-one, 3-propyl- III-13


2301. 1 0 0 2-Cyclopenten-1-one, 4-ethyl-2-hydroxy- II.A-5, III-13





2306. 66309-81-7 1 0 0 2-Cyclopenten-1-one, 4-methyl-3-(1-propenyl)- III-13


2308. 70919-26-5 1 0 0 2-Cyclopenten-1-one, 5-hydroxy- II.A-5, III-13



2311. 14320-37-7 1 0 0 3-Cyclopenten-1-one III-13

2312. 0 1 0 3-Cyclopenten-1-one, 3-(1-methylethyl)- III-13

2313. 1630-94-0 1 0 0 Cyclopropane, 1,1-dimethyl- I.C-1

2314. 2511-95-7 1 0 0 Cyclopropane, 1,2-dimethyl- I.C-1

2315. 930-18-7 1 0 0 Cyclopropane, 1,2-dimethyl-, (Z)- I.C-1

2316. 2402-06-4 1 0 0 Cyclopropane, 1,2-dimethyl-, (E)- I.C-1

2317. 22059-21-8 0 1 0 Cyclopropanecarboxylic acid, 1-amino- IV.A-3, XII-2

2318. 91465-08-6 0 1 0 Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester {λ-Cyhalothrin®}

V-3, XI-1, XVIII.B-3, XXI-3

2319. 52315-07-8 0 1 0 Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester {Cypermethrin®} Cl

Cl

OO

CNO

H3C CH3


2320. 67375-30-8 0 1 0 Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester {α-Cypermethrin®}


2321. 121-29-9 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester {Pyrethrin II®}

V-3, XXI-3

2322. 7696-12-0 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1-cyclohexene-1,2-dicarboximido)methyl ester

{Tetramethrin®} O

O

CH3

H3C

CH3

O

O

NH3C

V-3, X-2, XXI-3

2323. 121-21-1 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester {Pyrethrin I®}

V-3, XVIII.B-3, XXI-3

2324. 10453-86-8 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, (5-phenylmethyl-3-furanyl)methyl ester {Resmethrin®}

XXI-3

90


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2325. 52918-63-5 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2-dibromoethenyl)-, cyano(3-phenoxyphenyl)methyl ester {Deltamethrin®} O

O

CNO

H3C CH3Br

Br


2326. 52645-53-1 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-dichloroethenyl-, (3-phenoxyphenyl)methyl ester {Permethrin®; Spartan®}

Cl

ClH3C CH3

O

O

O

V-3, X-2, XVIII.B-3, XXI-3

2327. 68359-37-5 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2-dichloroethenyl)-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester

{Cyfluthrin®} Cl

ClH3C CH3

O

O

O

F

CN


2328. 97-41-6 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester

V-3

2329. 5460-63-9 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, methyl ester

V-3

2330. 25402-06-6 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester {Cinerin I®}

XXI-3

2331. 4466-14-2 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester {Jasmolin 1®}

XXI-3

2332. 584-79-2 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, 2-(1-propenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one ester {Allethrin®}

O

OO

V-3, XXI-3

2333. 66841-25-6 0 1 0 Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(1,2,2,2-tetrabromoethyl)-, cyano(3-phenoxyphenyl)methyl ester {Tralomethrin®}

XI-2, XXI-3

2334. 39515-41-8 1 1 1 Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl cyano(3-phenoxyphenyl)methyl ester

{Fenpropathrin®, Danitol®}

XI-2, XXI-3

2335. 82657-04-3 0 1 0 Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2-methyl[1,1'-biphenyl]-3-yl)methyl ester, (1R,3R)-rel- {Bifenthrin®, Biphenthrin®}

XXI-3

2336. 17219-23-7 0 1 0 Cyclopropanecarboxylic acid, 2,3-dimethyl- IV.A-3

2337. 32809-16-8 0 1 0 1,2-Cyclopropanedicarboximide, N (3,5-dichlorophenyl)-1,2-dimethyl-

{Procymidone®}

O

O

N

Cl

Cl

XVIII.B-3,

XXI-3

2338. 18383-59-0 0 1 0 Cyclopropanemethanol, 2,2-dimethyl-3-(2-methylpropenyl)- {chrysanthemyl alcohol} OH

II.A-5

91


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2339. 50906-50-8 0 1 0 9,19-Cyclostigmast-24(28)-en-3-ol, 4,14-dimethyl-,

(3β,4α,5α,24Z)-

II.B-2

2340. 89288-59-5 0 1 0 4,13-Cyclotetradecadiene-1,3-diol, 8-hydroperoxy-1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8R*,12R*,13E)]-

H3C CH3

CH3

CH3

OH

OH

H2C

HOO

1

234

5

6

7

8

9

10

1112

13

II.A-5

2341. 89362-05-0 0 1 0 4,13-Cyclotetradecadiene-1,3-diol, 8-hydroperoxy-1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,8S*,12S*,13E)]-

H3C CH3

OH

CH3

OHCH3

HOO

H2C

1

234

56

7

8

9

10

11

12

13

II.A-5

2342. 102734-57-6 0 1 0 5,10-Cyclotetradecadiene-1,2,7,9-tetrol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,2R*,5E,7S*,9R*,10E,12R*)]- 1

2

3

45

67

8

9

10

12

H3C CH3

OH

OH

OH

OH CH3

H3C CH3

II.A-5

2343. 89362-09-4 0 1 0 4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,8S*,12S*,13E)]-

OH

OH

HO

1

23

45

6

7

8

9

10

11

12

13

14

II.A-5

2344. 91200-13-4 0 1 0 4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8S*,12R*,13E)]-

OH

OH

HO

1

23

45

6

7

8

9

10

11

12

13

14

II.A-5

2345. 80802-00-2 0 1 0 4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9-methylene-12-(1-methylethyl)-

OH

OH

HO

1

23

45

6

7

8

9

10

11

12

13

14

II.A-5

2346. 91163-46-1 0 1 0 5,9-Cyclotetradecadiene-1,4,8-triol, 4,8-dimethyl-14-methylene-11-(1-methylethyl)-, [1S-(1R*,4R*,5E,8S*,9E,11R*)]-

CH3

OH

CH3

OH

H2C

HO

H3C

H3C

1

2

3

4

5

6

7

8

9

1011

12

13

14

II.A-5

2347. 90660-18-7 0 1 0 4,9-Cyclotetradecadien-1-one, 6,8-dihydroxy-4,8-dimethyl-14-methylene-11-(1-methylethyl)-, [6R-(4E,6R*,

II.A-5, III-13

2348. 119613-98-8 0 1 0 5,10-Cyclotetradecadien-1-one, 7,9-dihydroxy-7,11-dimethyl-4-(1-methylethyl)-, [4S-(4R*,5E,7R*,9S*,10E)]-

II.A-5, III-13

2349. 1786-12-5 0 1 0 Cyclotetradecane, 1,7,11-trimethyl-4-(1-methylethyl)-

CH3

CH3

H3C

H3C

CH3

1

2

34

5

6

7

8

9

1011

I.C-1

2350. 150405-76-8 0 1 0 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl- I.C-1

92


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2351. 101159-08-4 1 1 1 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)- {cembrene}

I.C-1

2352. 1898-13-1 0 1 0 1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, [S- (E,Z,E,E)]-

I.C-1

2353. 0 1 0 1,3,6,11-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-

13

6

7

11 14

I.C-1

2354. 0 1 0 5,8,11,14-Cyclotetradecatetraene, 1.5.9-trimethyl-12-(1-methylethyl)-

1

58

9

1112

14

I.C-1

2355. 101159-07-3 0 1 0 1,4,7,10-Cyclotetradecatetraene, 1,7,11-trimethyl-4-(1-methylethenyl)-

I.C-1

2356. 39815-66-2 0 1 0 2,4,9,13-Cyclotetradecatetraen-1-ol, 3,9,13-trimethyl-6-(1-methylethyl)-

H3C CH3

CH3

6

13 1 2

34

57

89

10

11

12

OH

CH3H3C

II.A-5

2357. 57688-99-0

59284-87-6

1 0 0 2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11-trimethyl-8-(1-methylethyl)-

II.A-5

2358. 84367-90-8 1 1 1 2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11-trimethyl-8-(1-methylethyl)-, [1S-(1R*,2E,5R*,6E,8R*,11E)]-

OH

OH

1

2

3

4

5

678

9

10

11

123

13

14

II.A-5

2359. 84367-92-0 0 1 0 2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,2E,5S*,6E,8S*,11E)]-

II.A-5

2360. 89288-60-8 0 1 0 4,7,13-Cyclotetradecatriene-1,3-diol, 9-hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-

H3C CH3

OH

CH3

H3C

HOO

CH3 OH

1

23

45

6

7

8

9

10

1112

13

II.A-5

2361. 89362-06-1 0 1 0 4,7,13-Cyclotetradecatriene-1,3-diol, 9-hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7E,9S*,12R*,13E)]-

H3C CH3

OH

CH3

OHCH3

H3C

HOO1

23

45

6

7

8

9

10

1112

13

II.A-5

2362. 89362-07-2 0 1 0 4,7,13-Cyclotetradecatriene-1,3-diol, 9-hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7E,9S*,12S*,13E)]-

CH3 OH

CH3

OHH3C

H3C CH3

1

23

4

56

7

8

9

10

1112

13HOO

II.A-5

93


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2363. 82003-46-1 0 1 0 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-

HO OH

OH

CH3

H3C CH3

CH3

CH3

1

23

45

6

7

8

9

10

11

12

13

II.A-5

2364. 89362-10-7 0 1 0 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-

HO OH

OH

CH3

H3C CH3

CH3

CH3

1

23

45

6

7

8

9

10

11

12

13

II.A-5

2365. 89362-11-8 0 1 0 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7E,9R*,12R*,13E)]-

HO OH

OH

CH3

H3C CH3

CH3

CH3

1

23

45

6

7

8

9

10

11

12

13

II.A-5

2366. 91200-14-5 0 1 0 4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7E,9R*,12R*,13E)]-

HO OH

OH

CH3

H3C CH3

CH3

CH3

1

23

45

6

7

8

9

10

11

12

13

II.A-5

2367. 116348-80-2 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3S*,4E,8E,12S*,13E)]-

II.A-5

2368. 121916-90-3 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3R*,4E,8E,12S*,13E)]-

II.A-5

2369. 122620-36-4 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1R*,3R*,4E,8E,12S*,13E)-

(±)-

II.A-5

2370. 57605-80-8 1 1 1 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8E,12S*,13E)]-

H3C CH3

OH

CH3

OHCH3

H3C

1

234

56

7

8

9

10

1112

13

II.A-5

2371. 57605-81-9 1 1 1 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-1R*,3R*,4E,8E,12S*,13E)]-

H3C CH3

OH

CH3

OHCH3

H3C

1

234

56

7

8

9

10

1112

13

II.A-5

2372. 87554-04-9 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8E,12S*,13Z)]-

II.A-5

2373. 7220-78-2 1 1 1 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-

II.A-5

2374. 2043-08-1 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl)-, 3-acetate, [1S-(1R*,3S*,4E,8E,12S*,13E)]-

II.A-5

2375. 146564-67-2 0 1 0 4,8,13-Cyclotetradecatriene-1,3-diol, 9-(hydroxymethyl)-1,5-dimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,8Z,12R*,13E)]-

II.A-5

94


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2376. 1 1 1 4,8,13-Cyclotetradecatriene-1-ol-3-one,-1,5,9-trimethyl-12-(1-methylethyl)-,

II.A-5

2377. 149403-67-8 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7S*,8E,12R*)]-

II.A-5

2378. 149403-68-9 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1S-(1R*,3S*,4E,7R*,8E,12R*)]-

II.A-5

2379. 149403-69-0 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7R*,8E,12S*)]-

II.A-5

2380. 149403-70-3 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7S*,8E,12S*)]-

II.A-5

2381. 149403-71-4 0 1 0 4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9-trimethyl-12-(1-methylethyl)-, [1R-(1R*,3R*,4E,7S*,8Z,12S*)]-

II.A-5

2382. 146564-66-1 0 1 0 4,9,13-Cyclotetradecatriene-1,3,8-triol, 3,9,13-trimethyl-6-(1-methylethyl)-, [1R-(1R*,3R*,4E,6S*,8R*,9E,13E)]-

II.A-5

2383. 146609-95-2 0 1 0 4,9,13-Cyclotetradecatriene-1,3,8-triol, 3,9,13-trimethyl-6-(1-methylethyl)-, [1R-(1R*,3S*,4E,6S*,8R*,9E,13E)]-

II.A-5

2384. 60026-11-1 0 1 0 2,7,12-Cyclotetradecatrien-1-ol, 1,7-dimethyl-11-methylene-4-(1-methylethyl)-

Chem. Abstracts numbering

II.A-5

CH3

OH

CH2

H3C CH3

H3C

12

34

56

7

89

1011

1213

14

Chem. Abstracts numbering

2385. 87387-80-2 0 1 0 2,6,12-Cyclotetradecatrien-1-ol, 3,7,13-trimethyl-10-(1-methylethenyl)-

II.A-5

2386. 119864-28-7 0 1 0 2,7,10-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, [1R- (1R*,2E,4S*,7E,10E)]-

II.A-5

2387. 119944-62-6 0 1 0 2,7,10-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, [1S-(1R*,2E,4R*,7E,10E)]-

II.A-5

2388. 25269-17-4 1 1 1 2,7,11-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, [1R-(1R*,2E,4S*,7E,11E)]-

H3C CH3

CH3

H3C

CH3

OH1

2

34

6

7

8

9

10

5

1112

13

II.A-5

2389. 80126-41-6 0 1 0 2,7,11-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, [1S-(1R*,2E,4R*,7E,11E)]-

H3C CH3

CH3

H3C

CH3

OH1

2

34

6

7

8

9

10

5

1112

13

II.A-5

2390. 149312-90-3 0 1 0 2,6,11-Cyclotetradecatrien-1-one, 5,13-dihydroxy-3,7,13-trimethyl-10-(1-methylethyl)-, [5S-(2E,5R*,6E,10R*,11E,13R*)]-

II.A-5, III-13

95


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2391. 98064-74-5 0 1 0 2,5,11-Cyclotetradecatrien-1-one, 7,13-dihydroxy-3,7,13-trimethyl-10-(1- methylethyl)-, [7S-(2E,5E,7R*,10R*,11E,13R*)]-

II.A-5, III-13

2392. 149312-89-0 0 1 0 2,7,12-Cyclotetradecatrien-1-one, 9,11-dihydroxy-3,9,13-trimethyl-6-(1-methylethyl)-, [6S-(2E,6R*,7E,9R*,11S*,12E)]-

II.A-5, III-13

2393. 149403-72-5 0 1 0 2,7,12-Cyclotetradecatrien-1-one, 9,11-dihydroxy-3,9,13-trimethyl-6-(1-methylethyl)-, [6S-(2E,6R*,7E,9S*,11S*,12E)]-

II.A-5, III-13

2394. 41429-54-3 0 1 0 2,6,11-Cyclotetradecatrien-1-one, 13-hydroxy-3,7,13-trimethyl-10-(1-methylethyl)-

HO

O

12

34

5 6

78

91011

12

13

14

II.A-5

2395. 0 1 0 13-Cyclotetradecene-1,3,4,8-tetrol-1-methyl-5,9-dimethylene-12-(1-methylethyl)-

H3C CH3

OH

CH3

OH

OHCH2

HO

H2C

1

34

56

2

7

8

9

10

1112

13

II.A-5

2396. 0 1 0 1-Cyclotetradecen-1-one, 3,6,13-triol-3,13-dimethyl-7-methylene-10-(1-methylethyl)-

H3C CH3

CH3

OHH3C

O

H2C

HO1

23

4

56

7

8

910

11

12

13

OH

II.A-5, III-13

2397. 62376-15-2 1 0 0 Cycloundecane, 1,1,2-trimethyl- I.C-1

2398. 6753-98-6 0 1 0 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-

1

23

45

67

8

9

10

11

I.C-1

2399. 498-40-8 0 1 0 Cysteic acid HO-SO2-CH2-CH(NH2)-COOH

IV.B-7, XVIII.A-1

2400. 52-90-4 1 1 1 L-Cysteine

{propanoic acid, 2-amino-3-mercapto- (R)}

HS-CH2-CH(NH2)-COOH

IV.B-7, XVIII.A-1

2401. 636-58-8 0 1 0 L-Cysteine, N-L-γ-glutamyl- IV.B-7, XVIII.A-1

2402. 24645-67-8 0 1 0 Cystine {propanoic acid, 2-amino-3,3’-dithiobis-} {S-CH2-CH(NH2)-COOH}2

IV.B-7, XVIII.A-1

2403. 65-46-3 0 1 0 Cytidine

{2(1H)-pyrimidinone, 4-amino-1-β-

D-ribofuranosyl-}


2404. 65-47-4 0 1 0 Cytidine 5'-(tetrahydrogen triphosphate) II.A-5, X-2, XII-2, XVII.B-2

2405. 63-37-6 0 1 0 5'-Cytidylic acid

O

OH OH

ON

NH2

N

OP

OH

OH

O

II.A-5, X-2, XII-2,

XVII.B-2

96


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2406. 9044-61-5 0 1 0 Cytochrome b 559 XXII-2

2407. 9035-46-5 0 1 0 Cytochrome c6 XXII-2

2408. 0 1 0 Cytochrome oxidase XXII-2

2409. 62168-75-6 0 1 0 Deacylase XXII-2

2410. 2363-88-4 0 1 0 2,4-Decadienal III-12

2411. 25152-84-5 1 1 1 2,4-Decadienal, (E,E)- III-12

2412. 63889-75-8 0 1 0 Decadienoic acid {sebacic acid} IV.A-3

2413. 59286-28-1 0 1 0 2,4-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9-oxo-, (Z,E)-

III-13, IV.A-3

2414. 58315-84-7 0 1 0 2,4-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9-oxo-, [S-(E,E)]-

III-13, IV.A-3

2415. 59262-52-1 0 1 0 2,7-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9-oxo-, (E,E)-

III-13, IV.A-3

2416. 158815-70-4 0 1 0 4,9-Decadienoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-9-(tetrahydro-5-oxo-2-furanyl)-

II.A-5, IV.A-3

2417. 160115-53-7 0 1 0 4,9-Decadienoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-9-(tetrahydro-5-oxo-2-furanyl)-, methyl ester

II.A-5, V-3

2418. 112-31-2 1 1 1 Decanal {capraldehyde} H3C-(CH2)8-CH=O III-12

2419. 124-18-5 1 1 1 Decane H3C-(CH2)8-CH3 I.A-10

2420. 61193-21-3 1 0 0 Decane, methyl- C10H21-CH3 I.A-10

2421. 6975-98-0 0 1 0 Decane, 2-methyl- H3C-CH(CH3)-(CH2)7-CH3 I.A-10

2422. 13151-34-3 1 0 0 Decane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)6-CH3 I.A-10

2423. 13151-35-4 1 0 0 Decane, 5-methyl- H3C-(CH2)4-CH(CH3)-(CH2)3-CH3 I.A-10

2424. 111-20-6 1 1 1 Decanedioic acid HOOC-(CH2)8-COOH IV.A-3

2425. 110-40-7 0 1 0 Decanedioic acid, diethyl ester H5C2-OOC-(CH2)8-COO-C2H5 V-3

2426. 334-48-5 1 1 1 Decanoic acid {capric acid} H3C-(CH2)8-COOH IV.A-3, XXI-3

2427. 110-38-3 1 1 1 Decanoic acid, ethyl ester {ethyl caprate} H3C-(CH2)8-COO-C2H5 V-3

2428. 5601-60-5 0 1 0 Decanoic acid, 8-methyl- IV.A-3

2429. 110-42-9 0 1 0 Decanoic acid, methyl ester H3C-(CH2)8-COO-CH3 V-3

2430. 70898-23-6 1 1 1 Decanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester, (all-E)-

V-3

2431. 70898-24-7 0 1 0 Decanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

2432. 112-30-1 1 1 1 1-Decanol {capric alcohol} H3C-(CH2)8-CH2OH II.A-5, XXI-3

2433. 693-54-9 1 1 1 2-Decanone {methyl octyl ketone} H3C-(CH2)7-CO-CH3 III-13

2434. 9027-22-9 0 1 0 Decarboxylase XXII-2

2435. 9036-20-8 0 1 0 Decarboxylase, adenosylmethionine XXII-2

2436. 9024-77-5 0 1 0 Decarboxylase, arginine XXII-2

2437. 9024-58-2 0 1 0 Decarboxylase, glutamate XXII-2

2438. 37259-67-9 0 1 0 Decarboxylase, glycine XXII-2

2439. 9024-60-6 0 1 0 Decarboxylase, ornithine XXII-2

2440. 9001-04-1 0 1 0 Decarboxylase, pyruvate XXII-2

2441. 9024-70-8 0 1 0 Decarboxylase, uroporphyrinogen XXII-2

97


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2442. 63892-04-6 0 1 0 2,7,9-Decatrienoic acid, 3,9-dimethyl-6-(1-methylethyl)-, (E,E)-

IV.A-3

2443. 2497-25-8 0 1 0 2-Decenal, (Z)- H3C-(CH2)6-CH=CH-CH=O III-12

2444. 3913-71-1 0 1 0 2-Decenal, (E)- III-12

2445. 872-05-9 1 1 1 1-Decene H2C=CH-(CH2)7-CH3 I.B-1

2446. 1 0 0 1-Decene, 5-methyl- H2C=CH-(CH2)2-CH(CH3)-(CH2)4-CH3 I.B-1

2447. 6816-17-7 0 1 0 2-Decene H3C-CH=CH-(CH2)6-CH3 I.B-1

2448. 26446-27-5 0 1 0 Decenoic acid {3 isomers detected} IV.A-3

2449. 60924-66-5 0 1 0 4-Decenoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-9-oxo-

II.A-5, III-13, IV.A-3

2450. 129777-23-7 0 1 0 4-Decenoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-9-oxo-, [R-[R*,S*-(E)]]-


2451. 77288-98-3 0 1 0 6-Decen-2-one, 8,10-dihydroxy-8-methyl-5-(1-methylethyl)-


2452. 9001-03-0 0 1 0 Dehydratase, carbonate XXII-2

2453. 9024-34-4 0 1 0 Dehydratase, threonine XXII-2

2454. 9035-82-9 0 1 0 Dehydrogenase XXII-2

2455. 9001-40-5 0 1 0 Dehydrogenase, glucose 6-phosphate XXII-2

2456. 9001-46-1 0 1 0 Dehydrogenase, glutamate XXII-2

2457. 9029-12-3 0 1 0 Dehydrogenase, glutamate (nicotinamide adenine dinucleotide (phosphate))

XXII-2

2458. 0 1 0 Dehydrogenase, glutamic acid XXII-2

2459. 9026-38-4 0 1 0 Dehydrogenase, glutathione (ascorbate) XXII-2

2460. 9001-50-7 0 1 0 Dehydrogenase, glyceraldehyde phosphate XXII-2

2461. 9028-13-1 0 1 0 Dehydrogenase, homoserine XXII-2

2462. 9001-58-5 0 1 0 Dehydrogenase, isocitrate XXII-2

2463. 9028-48-2 0 1 0 Dehydrogenase, isocitrate (nicotinamide adenine dinucleotide phosphate)

XXII-2

2464. 9001-64-3 0 1 0 Dehydrogenase, malate XXII-2

2465. 56941-16-3 0 1 0 Dehydrogenase, malate (decarboxylating) (nicotinamide adenine dinucleotide (phosphate))

XXII-2

2466. 37250-19-4 0 1 0 Dehydrogenase, malate (nicotinamide adenine dinucleotide phosphate)

XXII-2

2467. 9028-47-1 0 1 0 Dehydrogenase, malate (oxalacetate-decarboxylating) (nicotinamide adenine dinucleotide phosphate)

XXII-2

2468. 9029-14-5 0 1 0 Dehydrogenase, methylenetetrahydrofolate XXII-2

2469. 37256-31-8 0 1 0 Dehydrogenase, nicotine XXII-2

2470. 9001-82-5 0 1 0 Dehydrogenase, phosphogluconate XXII-2

2471. 9073-95-4 0 1 0 Dehydrogenase, phosphogluconate (decarboxylating)

XXII-2

2472. 9050-70-8 0 1 0 Dehydrogenase, proline XXII-2

2473. 9028-28-8 0 1 0 Dehydrogenase, quinate XXII-2

2474. 9079-67-8 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide

XXII-2

98


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2475. 9032-20-6 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide (phosphate) (quinone)

XXII-2

2476. 37256-36-3 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide (quinone)

XXII-2

2477. 37256-37-4 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide phosphate (quinone)

XXII-2

2478. 9001-68-7 0 1 0 Dehydrogenase, reduced nicotinamide adenine dinucleotide phosphate

XXII-2

2479. 9026-87-3 0 1 0 Dehydrogenase, shikimate XXII-2

2480. 9002-02-2 0 1 0 Dehydrogenase, succinate XXII-2

2481. 9054-84-6 0 1 0 Dehydrogenase, xanthine XXII-2

2482. 159844-35-6 0 1 0 Deoxyribonucleic acid (Arabidopsis thaliana clone TAY029 gene UbcAt3 ubiquitin-carrier enzyme E 2 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2483. 141712-74-5 0 1 0 Deoxyribonucleic acid (Arabidopsis thaliana strain Heynhold glycerol phosphate acyltransferase messenger RNA-complementary)

XXII-2

2484. 140812-74-4 0 1 0 Deoxyribonucleic acid (Nicotiana plumbaginifolia gene pma1 plus 5'- and 3'-flanking region fragment)

XXII-2

2485. 130061-32-4 0 1 0 Deoxyribonucleic acid (Nicotiana sylvestris clone NySS4 ribulose diphosphate carboxylase small subunit gene)

XXII-2

2486. 144997-82-0 0 1 0 Deoxyribonucleic acid (Nicotiana sylvestris clone yaDC12/yaDC17 gene psaDa protein D 2 messenger RNA-complementary)

XXII-2

2487. 155317-25-2 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone NeIF-4A11 protein formation initiation factor eIF 4A messenger RNA complementary plus 5'- and 3'-flanking region fragment)

XXII-2


XXII-2


XXII-2


XXII-2


XXII-2


XXII-2

99


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XXII-2

2494. 160074-66-8 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum clone Ubi.U4 gene Ubi.U4 polyubiquitin plus 5' and 3' flanking region fragment)

XXII-2

2495. 160075-53-6 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum cv. SR1

leaf clone Ntfad3 ω-3 fatty acid desaturase mRNA-complementary plus 5' and 3' flanking region fragment)

XXII-2

2496. 131553-16-7 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun 16.5-kilodalton protein messenger RNA-complementary)

XXII-2

2497. 131553-15-6 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun chitinase isoenzyme messenger RNA-complementary)

XXII-2

2498. 143514-65-2 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun clone NeIF-5A3 protein formation initiation factor eIF 5A isoform gene)

XXII-2

2499. 141093-81-4 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun clone pMOG404 osmotin messenger RNA-complementary)

XXII-2

2500. 143638-33-9 0 1 0 Deoxyribonucleic acid (Nicotiana tabacum samsun clone pTOL1 osmotin messenger RNA-complementary)

XXII-2

2501. 143341-52-0 0 1 0 Deoxyribonucleic acid (tobacco 1-109-extensin-like protein precursor-specifying)

XXII-2

2502. 152619-15-3 0 1 0 Deoxyribonucleic acid (tobacco chitinase acidic isoenzyme III messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2503. 152619-16-4 0 1 0 Deoxyribonucleic acid (tobacco chitinase basic isoenzyme III messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2504. 142978-98-1 0 1 0 Deoxyribonucleic acid (tobacco chloroplast clone L27-1 ribosome protein L 27 messenger RNA-complementary)

XXII-2

2505. 139872-58-5 0 1 0 Deoxyribonucleic acid (tobacco clone .lambda.5A gene RB7 plus 5'- and 3'-flanking region fragment)

XXII-2

2506. 139872-57-4 0 1 0 Deoxyribonucleic acid (tobacco clone .lambda.5A gene RB7)

XXII-2

2507. 128284-58-2 0 1 0 Deoxyribonucleic acid (tobacco clone .lambda.CHN17 chitinase basic isoenzyme gene)

XXII-2

2508. 156553-68-3 0 1 0 Deoxyribonucleic acid (tobacco clone 59 gene chi-V chitinase plus 5'- and 3'-flanking region fragment)

XXII-2

2509. 156553-69-4 0 1 0 Deoxyribonucleic acid (tobacco clone cA-3 gene chi-V chitinase messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2510. 155663-09-5 0 1 0 Deoxyribonucleic acid (tobacco clone cpb20-52 antifungal protein CPB 20 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2511. 124757-79-5 0 1 0 Deoxyribonucleic acid (tobacco clone E22 protein PR 5 gene)

XXII-2

100


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2512. 148757-18-0 0 1 0 Deoxyribonucleic acid (tobacco clone G27.1/G27.2 gene Npg1 plus 5'- and 3'-flanking region fragment)

XXII-2

2513. 158928-85-9 0 1 0 Deoxyribonucleic acid (tobacco clone lambda T-FLO 4 gene NFL2 exon 1 fragment)

XXII-2


XXII-2


XXII-2

2516. 145137-42-4 0 1 0 Deoxyribonucleic acid (tobacco clone NtDAHPS-1 phospho-2-keto-3-deoxyheptonate aldolase messenger RNA-complementary)

XXII-2

2517. 151876-45-8 0 1 0 Deoxyribonucleic acid (tobacco clone OMT3.4 catechol methyltransferase isoenzyme II messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2518. 128512-15-2 0 1 0 Deoxyribonucleic acid (tobacco clone pBSGlu39.1

endo-1,3-β-glucanase isoenzyme gene coding region)

XXII-2

2519. 128512-16-3 0 1 0 Deoxyribonucleic acid (tobacco clone pBSGlu39.3

endo-1,3-β-glucanase isoenzyme gene coding region)

XXII-2

2520. 147626-92-4 0 1 0 Deoxyribonucleic acid (tobacco clone pcGS2-17 glutamine synthetase isoenzyme 2 messenger RNA-complementary)

XXII-2

2521. 128512-19-6 0 1 0 Deoxyribonucleic acid (tobacco clone pGL31 endo-

1,3-β-glucanase isoenzyme messenger RNA-complementary)

XXII-2



XXII-2



XXII-2

2524. 103469-25-6 0 1 0 Deoxyribonucleic acid (tobacco clone PROB12 protein TL messenger RNA-complementary)

XXII-2

2525. 158928-82-6 0 1 0 Deoxyribonucleic acid (tobacco clone pTGF220 gene NFL1 exon 1 fragment)

XXII-2


XXII-2


XXII-2

2528. 141002-75-7 0 1 0 Deoxyribonucleic acid (tobacco clone pVK5 osmotin messenger RNA-complementary)

XXII-2

2529. 150001-42-6 0 1 0 Deoxyribonucleic acid (tobacco clone TSC81 ribosome protein L 17 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2530. 128512-25-4 0 1 0 Deoxyribonucleic acid (tobacco endo-1,3-β-glucanase isoenzyme messenger RNA-complementary)

XXII-2

2531. 143341-55-3 0 1 0 Deoxyribonucleic acid (tobacco extensin-like protein 107-amino acid fragment-specifying)

XXII-2

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2532. 143341-56-4 0 1 0 Deoxyribonucleic acid (tobacco extensin-like protein 81-amino acid fragment-specifying)

XXII-2

2533. 160936-44-7 0 1 0 Deoxyribonucleic acid (tobacco leaf curl virus coat protein gene)

XXII-2

2534. 141004-11-7 0 1 0 Deoxyribonucleic acid (tobacco ribosome protein L 2 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2535. 143513-68-2 0 1 0 Deoxyribonucleic acid (tobacco strain NK326 gene oee2-A plus 5'- and 3'-flanking region fragment)

XXII-2

2536. 143513-69-3 0 1 0 Deoxyribonucleic acid (tobacco strain NK326 gene oee2-A)

XXII-2

2537. 149309-58-0 0 1 0 Deoxyribonucleic acid (tobacco thioredoxin h2 gene plus 5'- and 3'-flanking region fragment)

XXII-2

2538. 140114-22-3 0 1 0 Deoxyribonucleic acid (tobacco thioredoxin messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2539. 141712-75-6 0 1 0 Deoxyribonucleic acid, (Arabidopsis thaliana strain Heynhold glycerol phosphate acyltransferase messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2540. 148037-15-4 0 1 0 Deoxyribonucleic acid, (Arabidopsis thaliana thioredoxin h messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2541. 147533-09-3 0 1 0 Deoxyribonucleic acid, (Nicotiana alata clone NaPRP3g12 proline-rich protein PRP 3 gene plus 5'- and 3'-flanking region fragment)

XXII-2

2542. 139860-37-0 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-4A2 protein formation initiation factor eIF 4A messenger RNA-complementary plus 5'-and 3'-flanking region fragment)

XXII-2

2543. 146150-24-5 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-4A2 protein formation initiation factor eIF 4A messenger RNA-complementary)

XXII-2

2544. 140095-89-2 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-4A3 protein formation initiation factor eIF 4A messenger RNA-complementary plus 5'-and 3'-flanking region fragment)

XXII-2

2545. 146150-26-7 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-4A3 protein formation initiation factor eIF 4A messenger RNA-complementary)

XXII-2

2546. 140360-04-9 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-5A2 protein formation initiation factor eIF 5A isoform messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2547. 143514-64-1 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone NeIF-5A2 protein formation initiation factor eIF 5A isoform messenger RNA-complementary)

XXII-2

2548. 141374-52-9 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone pSOD3 copper-zinc superoxide dismutase messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2549. 143348-77-0 0 1 0 Deoxyribonucleic acid, (Nicotiana plumbaginifolia clone pSOD3 copper-zinc superoxide dismutase messenger RNA-complementary)

XXII-2

102


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2550. 144997-81-9 0 1 0 Deoxyribonucleic acid, (Nicotiana sylvestris clone yaDC12/yaDC17 gene psaDa protein D 2 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2551. 140110-39-0 0 1 0 Deoxyribonucleic acid, (Nicotiana tabacum samsun clone NeIF-5A3 protein formation initiation factor eIF 5A isoform gene plus 5'- and 3'-flanking region fragment)

XXII-2

2552. 141093-82-5 0 1 0 Deoxyribonucleic acid, (Nicotiana tabacum samsun clone pMOG404 osmotin messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2553. 141093-84-7 0 1 0 Deoxyribonucleic acid, (Nicotiana tabacum samsun clone pMOG4041-226-osmotin-specifying plus 5'- and 3'-flanking region fragment)

XXII-2

2554. 142978-99-2 0 1 0 Deoxyribonucleic acid, (tobacco chloroplast clone L27-1 ribosome protein L 27 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2555. 145093-14-7 0 1 0 Deoxyribonucleic acid, (tobacco clone EPSPS-1 5-enolpyruvoylshikimate 3-phosphate synthase messenger RNA-complementary plus 5'- and 3-flanking region fragment)

XXII-2

2556. 139837-73-3 0 1 0 Deoxyribonucleic acid, (tobacco clone NtDAHPS-1 phospho-2-keto-3-deoxyheptonate aldolase messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2557. 128512-17-4 0 1 0 Deoxyribonucleic acid, (tobacco clone pBSGlu39.1

endo-1,3-β-glucanase isoenzyme gene coding region plus 5'- and 3'-flanking region fragment)

XXII-2

2558. 128512-18-5 0 1 0 Deoxyribonucleic acid, (tobacco clone

pBSGlu39.3endo-1,3-β-glucanase isoenzyme gene coding region plus 5'- and 3'-flanking region fragment)

XXII-2

2559. 145735-56-4 0 1 0 Deoxyribonucleic acid, (tobacco clone pcGS2-17 glutamine synthetase isoenzyme 2 messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2560. 128512-22-1 0 1 0 Deoxyribonucleic acid, (tobacco clone pGL31 endo-

1,3-β- glucanase isoenzyme messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2


1,3-β-glucanase isoenzyme messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2


1,3-β-glucanase isoenzyme messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2563. 143341-58-6 0 1 0 Deoxyribonucleic acid, (tobacco clone pMG15 extensin-like protein messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

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2564. 128512-26-5 0 1 0 Deoxyribonucleic acid, (tobacco endo-1,3-β-glucanase isoenzyme messenger RNA-complementary plus 5'- and 3'-flanking region fragment)

XXII-2

2565. 143341-53-1 0 1 0 Deoxyribonucleic acid, (tobacco extensin-like protein 171-amino acid C-terminal fragment-specifying plus 3'-flanking region fragment)

XXII-2


XXII-2


XXII-2

2568. 139637-37-9 0 1 0 Deoxyribonucleic acid, d(A-T-G-T-T-C-T-C-T-C-T-T-T-T-A-A-T-G-G-T-G-G-T-T-C-T-T-T-A-G)

XXII-2

2569. 152789-83-8 0 1 0 Deoxyribonucleic acid, d(C-A-T-C-A-C-G-T-G-A-G-A-T-A-A-G-A-G-C-C-G-C-C-A), double-stranded complementary

XXII-2

2570. 152789-84-9 0 1 0 Deoxyribonucleic acid, d(T-A-A-A-G-T-C-A-A-A-G-A-A-T-T-T-C-A-A-T-G-T-C-A-C-A), double-stranded complementary

XXII-2

2571. 67880-95-9 0 1 0 Desaturase, fatty acid ω3- XXII-2

2572. 159965-67-0 0 1 0 Desaturase, fatty acid ω3- (tobacco clone Ntfad3) XXII-2

2573. 107544-21-8 0 1 0 Desaturase, phytoene XXII-2

2574. 9004-53-9 0 1 0 Dextrin II.A-5, VIII-3

2575. 37340-89-9 0 1 0 Diaphorase XXII-2

2576. 5385-75-1 1 0 0 Dibenz[a,e]aceanthrylene

{dibenzo[a,e]fluoranthene}

I.E-6

2577. 189-75-3 1 0 0 Dibenz[j,mno]aceanthrylene I.E-6

2578. 71630-69-8 1 0 0 Dibenz[j,mno]aceanthrylene, methyl- I.E-6

2579. 226-36-8 1 0 0 Dibenz[a,h]acridine XVII.E-6

2580. 226-92-6 1 0 0 Dibenz[a,i]acridine XVII.E-6

2581. 224-42-0 1 0 0 Dibenz[a,j]acridine

XVII.E-6

2582. 224-53-3 1 0 0 Dibenz[c,h]acridine

XVII.E-6

2583. 67775-07-9 1 0 0 Dibenzanthracene I.E-6

2584. 53-70-3

1 0 0 Dibenz[a,h]anthracene {DB[a,h]A}

I.E-6

104


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2585. 224-41-9 1 0 0 Dibenz[a,j]anthracene

I.E-6

2586. 4607-33-4 1 0 0 Dibenzo[b,h][1]benzopyrano[2,3,4-de][1,6]naphthyridine

XVII.E-8

2587. 34442-52-9 1 0 0 1H-Dibenzo[a,c]carbazole

NH

a

cfg

h

i

XVII.E-6

2588. 207-84-1 1 1 1 7H-Dibenzo[a,g]carbazole XVII.E-6

2589. 239-64-5 1 0 0 13H-Dibenzo[a,i]carbazole

NH

a

cfg

h

i

XVII.E-6

2590. 194-59-2 1 0 0 7H-Dibenzo[c,g]carbazole

NH

a

cfg

h

i

XVII.E-6

2591. 28641-62-5 1 0 0 5H-Dibenzo[c,g]carbazole XVII.E-6

2592. 189-64-0 1 0 0 Dibenzo[b,def]chrysene {dibenzo[a,h]pyrene}

I.E-6

2593. 191-26-4 1 0 0 Dibenzo[def,mno]chrysene {anthanthrene}

I.E-6

2594. 64760-24-3 1 0 0 Dibenzo[def,mno]chrysene, dimethyl- {at least 2 isomers in MSS}

I.E-6

2595. 41699-10-9 1 0 0 Dibenzo[def,mno]chrysene, methyl- {at least 2, possibly 3, isomers in MSS}

I.E-6

2596. 1 0 0 Dibenzo[def,mno]chrysene, 6-methyl- I.E-6

2597. 191-30-0 1 0 0 Dibenzo[def,p]chrysene {dibenzo[a,l]pyrene}

I.E-6

2598. 191-68-4 1 0 0 Dibenzo[g,p]chrysene

I.E-6

2599. 1210-35-1 1 0 0 5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro- III-13

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2600. 262-12-4 1 0 0 Dibenzo[b,e][1,4]dioxin O

O

1

2

3

45

6

7

8

X-2

2601. 1 0 0 Dibenzo[b,e][1,4]dioxin, polychloro- X-2, XVIII.B-3

2602. 35822-46-9 1 1 1 Dibenzo[b,e][1,4]dioxin, 1,2,3,4,6,7,8-heptachloro- O

O

Cl

Cl

Cl

Cl

Cl

Cl

Cl

X-2, XVIII.B-3

2603. 1 0 0 Dibenzo[b,e][1,4]dioxin, 1,2,3,4,6,7,9-heptachloro- X-2, XVIII.B-3

2604. 39227-28-6 1 0 0 Dibenzo[b,e][1,4]dioxin, 1,2,3,4,7,8-hexachloro- X-2, XVIII.B-3



2607. 40321-76-4 1 0 0 Dibenzo[b,e][1,4]dioxin, 1,2,3,7,8-pentachloro- X-2, XVIII.B-3

2608. 1746-01-6 1 1 1 Dibenzo[b,e][1,4]dioxin, 2,3,7,8-tetrachloro- X-2, XVIII.B-3

2609. 37871-00-4 1 0 0 Dibenzo[b,e][1,4]dioxin, heptachloro- X-2, XVIII.B-3

2610. 34465-46-8 1 0 0 Dibenzo[b,e][1,4]dioxin, hexachloro- X-2, XVIII.B-3

2611. 3268-87-9 1 0 0 Dibenzo[b,e][1,4]dioxin, octachloro- X-2, XVIII.B-3

2612. 36088-22-9 1 0 0 Dibenzo[b,e][1,4]dioxin, pentachloro- X-2, XVIII.B-3

2613. 41903-57-5 1 0 0 Dibenzo[b,e][1,4]dioxin, tetrachloro- X-2, XVIII.B-3

2614. 60382-88-9 1 0 0 Dibenzofluoranthene {at least two isomers in MSS}

I.E-6

2615. 203-18-9 1 0 0 Dibenzo[j,l]fluoranthene

I.E-6

2616. 239-60-1 1 0 0 13H-Dibenzo[a,i]fluorene

I.E-6

2617. 132-64-9 1 1 1 Dibenzofuran {2,2’-biphenylene oxide}

O

12

3

4

X-2

2618. 1 0 0 Dibenzofuran, dimethyl- X-2

2619. 1 0 0 Dibenzofuran, methyl- X-2

2620. 1 0 0 Dibenzofuran, polychloro- {dioxins} X-2, XVIII.B-3

2621. 67562-39-4 1 1 1 Dibenzofuran, 1,2,3,4,6,7,8-heptachloro- X-2, XVIII.B-3

2622. 55673-89-7 1 0 0 Dibenzofuran, 1,2,3,4,7,8,9-heptachloro- X-2, XVIII.B-3

2623. 70648-26-9 1 0 0 Dibenzofuran, 1,2,3,4,7,8-hexachloro- X-2, XVIII.B-3


2625. 67517-48-0 1 0 0 Dibenzofuran, 1,2,3,4,8-pentachloro- X-2, XVIII.B-3


106


CAS No.

S

T

S

T


Selected structures

Chapter

Table



2629. 7320-50-5 1 0 0 Dibenzofuran, 1-methyl- X-2



2632. 83704-32-9 1 0 0 Dibenzofuran, 2,3,4,8-tetrachloro- X-2, XVIII.B-3

2633. 51207-31-9 1 0 0 Dibenzofuran, 2,3,7,8-tetrachloro- X-2, XVIII.B-3

2634. 1 0 0 Dibenzofuran, 1-methyl- X-2




2638. 9062-95-1 1 0 0 Dibenzofuran, dimethyl- X-2

2639. 38998-75-3 1 0 0 Dibenzofuran, heptachloro- X-2, XVIII.B-3

2640. 55684-94-1 1 0 0 Dibenzofuran, hexachloro- X-2, XVIII.B-3

2641. 60826-62-2 1 0 0 Dibenzofuran, methyl- X-2

2642. 39001-02-0 1 0 0 Dibenzofuran, octachloro- X-2, XVIII.B-3

2643. 30402-15-4 1 0 0 Dibenzofuran, pentachloro- X-2, XVIII.B-3

2644. 30402-14-3 1 0 0 Dibenzofuran, tetrachloro- X-2, XVIII.B-3

2645. 3693-22-9 1 0 0 2-Dibenzofuranamine

O

NH2

X-2, XII-2

2646. 4106-66-5 1 0 0 3-Dibenzofuranamine X-2, XII-2

2647. 216-00-2 1 0 0 Dibenzo[a,c]naphthacene

I.E-6

2648. 227-04-3 1 0 0 Dibenzo[a,j]naphthacene

I.E-6

2649. 193-09-9 1 0 0 Dibenzo[de,qr]naphthacene

{naphtho[2,3-d]pyrene}

I.E-6

2650. 192-51-8 1 0 0 Dibenzo[fg,op]naphthacene

{dibenzo[e,l]pyrene}

I.E-6

2651. 26894-49-5 0 1 0 6H-Dibenzo[b,d]pyran-6-one, 3,7(3,9 or 7,9)-dihydroxy-9(7 or 3)-methoxy-1-methyl-

O O

OCH3

OH

HO

VI-3, X-2,

IX.A-22

107


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2652. 29752-43-0 0 1 0 6H-Dibenzo[b,d]pyran-6-one, 9-methoxy-4a-methyl-

2,3,4,4a-tetrahydro-2,3,7-trihydroxy- (2α,3β,4aβ)-

O O

OH

CH3

HO

HO

OCH3

VI-3,

X-2, IX.A-22

2653. 641-38-3 0 1 0 6H-Dibenzo[b,d]pyran-6-one, 1-methyl-3,7,9-trihydroxy-

O O

OH

OH

HO

CH3

VI-3, IX.A-22

2654. 58615-36-4 1 0 0 Dibenzopyrene I.E-6

2655. 132-65-0 1 1 1 Dibenzothiophene XVIII.A-1

2656. 70021-47-5 0 1 0 Dibenzothiophene, dimethyl-

{at least four isomers detected}

XVIII.A-1

2657. 30995-64-3 1 1 1 Dibenzothiophene, methyl-

{at least four isomers detected}

XVIII.A-1

2658. 188-94-3 1 0 0 Diindeno[1,2,3-cd:1',2',3'-lm]perylene

I.E-6

2659. 309-00-2 1 1 1 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-,

(1α,4α,4aβ,5α,8α,8aβ)- [endo, endo] {Aldrin®} CCl2 CH2

Cl

Cl

Cl

Cl

XVIII.B-3,

XXI-3

2660. 465-73-6 0 1 0 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-,

(1α,4α,4aβ,5β,8β,8aβ)- [endo, exo] {Isodrin®}

XVIII.B-3,

, XXI-3

2661. 60-57-1 1 1 1 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-,

(1aα,2β,2aα,3β,6β,6aα,7β,7aα)- {Dieldrin®}

X-2,

XVIII.B-3,

XXI-3

2662. 72-20-8 1 1 1 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-,

(1aα,2β,2aβ,3α,6α,6aβ,7β,7aα)- {Endrin®}

X-2,

XVIII.B-3,

XXI-3

2663. 119973-29-4 1 0 0 26,27-Dinorergosta-3,5-diene I.C-1

2664. 119973-31-8 1 0 0 26,27-Dinorergosta-3,5,22-triene, (22E)- I.C-1

2665. 119973-30-7 1 0 0 26,27-Dinorergost-3-ene, (5α)- I.C-1

2666. 117210-53-4 0 1 0 2,7-Dioxabicyclo[2.2.1]heptane, 1,3-dimethyl-3-(4-methyl-3-pentenyl)-, endo-

X-2

2667. 117305-90-5 0 1 0 2,7-Dioxabicyclo[2.2.1]heptane, 1,3-dimethyl-3-(4-methyl-3-pentenyl)-, exo-

X-2

2668. 121927-15-9 0 1 0 13,14-Dioxabicyclo[10.2.2]hexadec-6-ene-2,3,5-triol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,2S*,3R*,5S*,

II.A-5, X-2

108


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2669. 52886-15-4 0 1 0 2,9-Dioxabicyclo[3.3.1]nonan-4-ol, 1,3,3-trimethyl-6-(1-methylethyl)- {2 isomers reported}

II.A-5, X-2

2670. 0 1 0 6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl- {frontalin}

X-2

2671. 58001-00-6 0 1 0 6,8-Dioxabicyclo[3.2.1]octane-7-methanol, 2-(1-

methylethyl)-α,5-dimethyl- [1α,2β,5α,7α(R*)] O

O

HO

CH3

CH3

CH3CH3

II.A-5, X-2


methylethyl)-α,α,5-trimethyl-, (2-endo,7-exo)-(±)- O

O

HO

CH3

CH3

CH3CH3

H3C

II.A-5, X-2


methylethyl)-α,α,5-trimethyl-

II.A-5, X-2

2674. 37112-31-5 1 1 1 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, (1S)- {levoglucosenone}

OO

O

III-13, X-2

2675. 16279-34-8 1 0 0 1,4-Dioxane, 2-methyl- X-2

2676. 162188-91-2 1 0 0 1,4-Dioxaspiro[4.5]decan-8-one, 7-(acetyloxy)-

7,9,9-trimethyl-, (±)-

O

OO

OOC-CH3

CH3H3C

H3C

1

2 3

4

56

78

9

III-13

2677. 41059-94-3 0 1 0 1,6-Dioxaspiro[4.5]dec-3-en-2-one, 3,4,7-trimethyl-

O

O

O

CH3

CH3

CH3

1

2 3

4

56

7

III-13

2678. 100-79-8 1 0 0 1,3-Dioxalane-4-methanol, 2,2-dimethyl- H3C

H3C

CH2OHO

O

II.A-5, X-2

2679. 96-49-1 1 0 0 1,3-Dioxalan-2-one {ethylene glycol carbonate} O

O

O

1

2

3

4

5

V-3

2680. 931-40-8 1 0 0 1,3-Dioxalan-2-one, 4-(hydroxymethyl)-

{glycerol carbonate}

V-3

2681. 108-32-7 1 1 1 1,3-Dioxalan-2-one, 4-methyl- {1,2-propylene glycol carbonate}

V-3

2682. 9025-33-6 0 1 0 Dipeptidase, prolyl XXII-2

2683. 1 0 0 Dipropoxymethane (C3H7O)2=CH2 X-2

2684. 67730-10-3 1 0 0 Dipyrido[1,2-a:3',2'-d]imidazol-2-amine {Glu-P-2} N

NH2

N

N

XVII.F-6

109


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2685. 67730-11-4 1 0 0 Dipyrido[1,2-a:3',2'-d]imidazol-2-amine, 6-methyl- {Glu-P-1}

NH2

CH3

N

N

N

XVII.F-6

2686. 484-73-1 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione {pyrocoll}

N

N

O

O

XVII.E-8

2687. 59017-02-6 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, 1,2,3,5a,8,10a-hexahydro-, (5aS-cis)-

XVII.E-8

2688. 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, 1,2,3,5a,8,10a-hexahydro-3-methyl-

XVII.E-8

2689. 71277-95-7 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, methyl-

XVII.E-8

2690. 6708-06-1 1 0 0 5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione, octahydro-

XVII.E-8

2691. 9054-89-1 0 1 0 Dismutase, superoxide XXII-2

2692. 143352-40-3 0 1 0 Dismutase, superoxide (Nicotiana plumbaginifolia clone pSOD3 copper-zinc protein moiety reduced)

XXII-2

2693. 5905-46-4 1 0 0 Disulfide, 1-propenyl propyl XVIII.A-1

2694. 110-81-6 1 0 0 Disulfide, diethyl H3C-CH2-S-CH2-CH3 XVIII.A-1

2695. 624-92-0 1 1 1 Disulfide, dimethyl H3C-S-S-CH3 XVIII.A-1

2696. 20333-39-5 1 0 0 Disulfide, ethyl methyl XVIII.A-1

2697. 5905-47-5 1 0 0 Disulfide, methyl 1-propenyl XVIII.A-1

2698. 2179-60-4 1 0 0 Disulfide, methyl propyl XVIII.A-1

2699. 21548-32-3 0 1 0 1,3-Dithietan-2-ylidenephosphoramidic acid, diethyl ester {Fosthietan®}

S

S

N P

OC2H5

OC2H5

O

XVIII.A-1,

XXI-3

2700. 947-02-4 0 1 0 Dithiolan-2-ylidenephosphoramidic acid, diethyl ester {Cyolane®; Phosfolan®}

S

S

N P OC2H5

OC2H5

O

XVIII.A-1,

XXI-3

2701. 2439-01-2 0 1 0 1,3-Dithiolo[4,5-b]quinoxalin-2-one, 6-methyl- {Quinomethionate®}

N S

O

N S

XVIII.A-1,

XXI-3

2702. 29564-66-7 0 1 0 Docosadienoic acid, (Z,Z)- IV.A-3

2703. 629-97-0 1 1 1 Docosane H3C-(CH2)20-CH3 I.A-10

2704. 1560-81-2 1 1 1 Docosane, 2-methyl- (H3C)=CH-(CH2)19-CH3 I.A-10

2705. 72227-00-0 1 1 1 Docosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)18-CH3 I.A-10

2706. 112-85-6 1 1 1 Docosanoic acid {behenic acid} H3C-(CH2)20-COOH IV.A-3

2707. 17671-27-1 1 1 1 Docosanoic acid, docosyl ester H3C-(CH2)20-COO-(CH2)21-CH3 V-3

2708. 42233-07-8 1 1 1 Docosanoic acid, dodecyl ester H3C-(CH2)20-COO-(CH2)11-CH3 V-3

2709. 42233-14-7 1 1 1 Docosanoic acid, eicosyl ester H3C-(CH2)20-COO-(CH2)19-CH3 V-3

2710. 5908-87-2 1 0 0 Docosanoic acid, ethyl ester H3C-(CH2)20-COO-CH2-CH3 V-3

2711. 42233-15-8 1 1 1 Docosanoic acid, heneicosyl ester H3C-(CH2)20-COO-(CH2)20-CH3 V-3

110


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2712. 121877-99-4 1 1 1 Docosanoic acid, heptacosyl ester H3C-(CH2)20-COO-(CH2)26-CH3 V-3

2713. 42233-12-5 1 1 1 Docosanoic acid, heptadecyl ester H3C-(CH2)20-COO-(CH2)16-CH3 V-3

2714. 55136-77-1 1 1 1 Docosanoic acid, hexacosyl ester H3C-(CH2)20-COO-(CH2)25-CH3 V-3

2715. 42233-11-4 1 1 1 Docosanoic acid, hexadecyl ester H3C-(CH2)20-COO-(CH2)15-CH3 V-3

2716. 42233-13-6 1 1 1 Docosanoic acid, nonadecyl ester H3C-(CH2)20-COO-(CH2)18-CH3 V-3

2717. 21511-31-9 1 1 1 Docosanoic acid, octacosyl ester H3C-(CH2)20-COO-(CH2)27-CH3 V-3

2718. 24271-12-3 1 1 1 Docosanoic acid, octadecyl ester H3C-(CH2)20-COO-(CH2)17-CH3 V-3

2719. 1 1 1 Docosanoic acid, pentacosyl ester H3C-(CH2)20-COO-(CH2)24-CH3 V-3

2720. 42233-10-3 1 1 1 Docosanoic acid, pentadecyl ester H3C-(CH2)20-COO-(CH2)14-CH3 V-3

2721. 42233-17-0 1 1 1 Docosanoic acid, tetracosyl ester H3C-(CH2)20-COO-(CH2)23-CH3 V-3

2722. 42233-09-0 1 1 1 Docosanoic acid, tetradecyl ester H3C-(CH2)20-COO-(CH2)13-CH3 V-3

2723. 1 0 0 Docosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester

V-3

2724. 42233-16-9 1 1 1 Docosanoic acid, tricosyl ester H3C-(CH2)20-COO-(CH2)32-CH3 V-3

2725. 42233-08-9 1 1 1 Docosanoic acid, tridecyl ester H3C-(CH2)20-COO-(CH2)12-CH3 V-3

2726. 36332-95-3 0 1 0 Docosanoic acid, 20-methyl- H3C-CH2 CH(CH3)-(CH2)18-COOH IV.A-3

2727. 121877-76-7 1 1 1 Docosanoic acid, 20-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)21-CH3

V-3

2728. 121877-62-1 1 1 1 Docosanoic acid, 20-methyl-, eicosyl ester H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)19-CH3

V-3

2729. 121877-71-2 1 1 1 Docosanoic acid, 20-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)20-CH3

V-3

2730. 59708-74-6 0 1 0 Docosanoic acid, 21-methyl- (H3C)2=CH-(CH2)19-COOH IV.A-3

2731. 661-19-8 1 1 1 1-Docosanol {behenyl alcohol} H3C-(CH2)20-CH2OH II.A-5

2732. 0 1 0 1-Docosanol, 20-methyl- II.A-5

2733. 0 1 0 1-Docosanol, 21-methyl- II.A-5

2734. 1599-67-3 1 0 0 1-Docosene H3C-(CH2)19-CH=CH2 I.B-1

2735. 1 0 0 1-Docosene, 2-methyl- H2C=C(CH3)-(CH2)19-CH3 I.B-1

2736. 1 0 0 2-Docosene, (Z)- H3C-CH=CH-(CH2)18-CH3 I.B-1

2737. 1 0 0 2-Docosene, (E)- I.B-1

2738. 1 0 0 2-Docosene, 2-methyl- H3C-C(CH3)=CH-(CH2)18-CH3 I.B-1

2739. 1 0 0 2-Docosene, 20-methyl-, (Z)- H3C-CH=CH-(CH2)16-CH(CH3)-CH2-CH3 I.B-1

2740. 1 0 0 2-Docosene, 20-methyl-, (E)- I.B-1

2741. 1 0 0 2-Docosene, 21-methyl-, (Z)- H3C-CH=CH-(CH2)17-CH(CH3)2 I.B-1

2742. 1 0 0 2-Docosene, 21-methyl-, (E)- I.B-1

2743. 112-86-7 0 1 0 13-Docosenoic acid, (Z)- IV.A-3

2744. 65596-29-4 0 1 0 3,6-Dodecadienedioic acid, 10-hydroxy-4,9-dimethyl-

II.A-5, IV.A-3

2745. 40596-69-8 1 1 1 2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (E,E)-

{Methoprene®; Altoside®}

IV.A-3, XXI-3

2746. 0 1 0 2,4-Dodecadienoic acid, 3-methyl-6-(1-methylethyl)-9-oxo-

III-13, IV.A-3

111


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2747. 7226-86-0 1 0 0 2,6-Dodecadien-1-ol, 3,7,11-trimethyl- II.A-5

2748. 117232-64-1 0 1 0 5,10-Dodecadien-2-one, 9-hydroxy-6,11-dimethyl- II.A-5, III-13

2749. 112-40-3 1 1 1 Dodecane H3C-(CH2)10-CH3 I.A-10

2750. 1560-97-0 1 0 0 Dodecane, 2-methyl- H3C-(CH2)9-CH=(CH3)2 I.A-10

2751. 17312-57-1 1 1 1 Dodecane, 3-methyl- H3C-(CH2)8-CH(CH3)-CH2-CH3 I.A-10

2752. 3891-98-3 1 1 1 Dodecane, 2,6,10-trimethyl- (farnesane) I.A-10

2753. 693-23-2 1 0 0 Dodecanedioic acid HOOC-(CH2)10-COOH IV.A-3

2754. 143-07-7 1 1 1 Dodecanoic acid {lauric acid} H3C-(CH2)10-COOH IV.A-3, XXI-3

2755. 71278-23-4 1 1 1 Dodecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester

V-3

2756. 71278-24-5 1 0 0 Dodecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester

V-3

2757. 36617-18-2 1 1 1 Dodecanoic acid, eicosyl ester H3C-(CH2)10-COO-(CH2)19-CH3 V-3

2758. 106-33-2 0 1 0 Dodecanoic acid, ethyl ester {ethyl laurate} H3C-(CH2)10-COO-C2H5 V-3

2759. 111-82-0 0 1 0 Dodecanoic acid, methyl ester H3C-(CH2)10-COO-CH3 V-3

2760. 7416-57-1 0 1 0 Dodecanoic acid, 10-methyl- H3C-CH2 CH(CH3)-(CH2)8-COOH IV.A-3

2761. 121877-15-4 1 1 1 Dodecanoic acid, 10-methyl-, eicosyl ester H3C-CH2-CH(CH3)-(CH2)8-COO-(CH2)19-CH3

V-3

2762. 121877-10-9 1 1 1 Dodecanoic acid, 11-methyl-, eicosyl ester (H3C)2=CH-(CH2)9-COO-(CH2)19-CH3 V-3

2763. 112-53-8 1 1 1 1-Dodecanol {lauryl alcohol} H3C-(CH2)10-CH2OH II.A-5, XXI-3

2764. 6750-34-1 0 1 0 1-Dodecanol, 3,7,11-trimethyl- {hexahydrofarnesol} II.A-5

2765. 6175-49-1 0 1 0 2-Dodecanone H3C-(CH2)9-CO-CH3 III-13

2766. 502-61-4 1 0 0 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)-

{α-farnesene}

I.B-1

2767. 1 0 0 2,6,9,11-Dodecatetraen-1-ol, 2,6,10-trimethyl-, (2E,6E,9E)- {α-sinensol}

II.A-5

2768. 1 0 0 2,6,10,?-Dodecatetraenol {dehydrofarnesol} II.A-5

2769. 18794-84-8 1 0 0 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-,

(E)- {β-farnesene}

I.B-1

2770. 3899-18-1 1 0 0 2,6,10-Dodecatriene, 2,6,10-trimethyl-, (E,E)- I.B-1

2771. 1 0 0 2,6,10-Dodecatriene, 3,7,11-trimethyl- I.B-1

2772. 7548-13-2 0 1 0 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl- IV.A-3

2773. 7212-44-4 1 1 1 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- {nerolidol}

II.A-5

2774. 142-50-7 0 1 0 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]- II.A-5

2775. 4602-84-0

3790-71-4

1 1 1 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- {sinensol; farnesol}

II.A-5, XXI-3

2776. 1 0 0 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- {farnesol isomer}

II.A-5

2777. 29548-30-9 1 1 1 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate {farnesyl acetate}

V-3

2778. 0 1 0 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, formate {farnesyl formate}

V-3

2779. 25378-22-7 1 0 0 Dodecene I.B-1

112


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Chapter

Table

2780. 112-41-4 1 0 0 1-Dodecene H2C=CH-(CH2)9-CH3 I.B-1

2781. 1 0 0 1-Dodecene, 2-methyl- H2C=C(CH3)-(CH2)9-CH3 I.B-1

2782. 1 0 0 2-Dodecene, 2-methyl- H3C-C(CH3)=CH-(CH2)8-CH3 I.B-1

2783. 1 0 0 2-Dodecene, 10-methyl-, (Z)- H3C-CH=CH-(CH2)6-CH(CH3)-CH2-CH3 I.B-1

2784. 1 0 0 2-Dodecene, 10-methyl-, (E)- I.B-1

2785. 1 0 0 2-Dodecene, 11-methyl-, (Z)- H3C-CH=CH-(CH2)7-CH(CH3)2 I.B-1

2786. 1 0 0 2-Dodecene, 11-methyl-, (E)- I.B-1

2787. 1 0 0 Dodecenoic acid IV.A-3

2788. 4412-16-2 0 1 0 2-Dodecenoic acid IV.A-3

2789. 544-85-4 1 1 1 Dotriacontane H3C-(CH2)30-CH3 I.A-10

2790. 1720-11-2 1 1 1 Dotriacontane, 2-methyl- H3C-(CH2)29-CH=(CH3)2 I.A-10

2791. 20129-49-1 1 1 1 Dotriacontane, 3-methyl- H3C-(CH2)28-CH(CH3)-CH2-CH3 I.A-10

2792. 16753-27-8 1 1 1 Dotriacontane-16,17-14

C2, labeled with 14

C I.A-10

2793. 3625-52-3 1 0 0 Dotriacontanoic acid H3C-(CH2)30-COOH IV.A-3

2794. 121878-06-6 1 1 1 Dotriacontanoic acid, eicosyl ester H3C-(CH2)30-COO-(CH2)19-CH3 V-3

2795. 66309-89-5 1 0 0 2,6,10,14,18,22,26,30-Dotriacontaoctaene, 2,6,10,14,18,22,26,30-octamethyl-, (all-E)-

I.B-1

2796. 85792-05-8 1 0 0 Dotriacontene I.B-1

2797. 18435-55-7 1 0 0 1-Dotriacontene H2C=CH-(CH2)29-CH3 I.B-1

2798. 1 0 0 2-Dotriacontene, (Z)- H3C-CH=CH-(CH2)28-CH3 I.B-1

2799. 1 0 0 2-Dotriacontene, (E)- I.B-1

2800. 7429-91-6 1 1 1 Dysprosium Dy XX-5

2801. 9007-57-2 0 1 0 Edestin XXII-2

2802. 25448-01-5 0 1 0 Eicosadienoic acid IV.A-3

2803. 2400-66-0 0 1 0 Eicosanal H3C-(CH2)18-CH=O III-12

2804. 112-95-8 1 1 1 Eicosane H3C-(CH2)18-CH3 I.A-10

2805. 0 1 0 Eicosane, methyl- I.A-10

2806. 1 0 0 Eicosane, 2-methyl- H3C-(CH2)17-CH=(CH3)2 I.A-10

2807. 0 1 0 Eicosane, 3-methyl- H3C-(CH2)16-CH(CH3)-CH2-CH3 I.A-10

2808. 4616-73-3 1 0 0 Eicosanenitrile H3C-(CH2)18-CN XI-2

2809. 506-30-9 1 1 1 Eicosanoic acid {arachidic acid} H3C-(CH2)18-COOH IV.A-3

2810. 42232-87-1 1 1 1 Eicosanoic acid, docosyl ester H3C-(CH2)18-COO-(CH2)21-CH3 V-3

2811. 42232-82-6 1 1 1 Eicosanoic acid, dodecyl ester H3C-(CH2)18-COO-(CH2)11-CH3 V-3

2812. 22432-80-0 1 1 1 Eicosanoic acid, eicosyl ester H3C-(CH2)18-COO-(CH2)19-CH3 V-3

2813. 42218-26-8 1 1 1 Eicosanoic acid, heneicosyl ester H3C-(CH2)18-COO-(CH2)20-CH3 V-3

2814. 121877-87-0 1 1 1 Eicosanoic acid, heptacosyl ester H3C-(CH2)18-COO-(CH2)26-CH3 V-3

2815. 36610-58-9 1 1 1 Eicosanoic acid, heptadecyl ester H3C-(CH2)18-COO-(CH2)16-CH3 V-3

2816. 17318-45-5 1 1 1 Eicosanoic acid, hexacosyl ester H3C-(CH2)18-COO-(CH2)25-CH3 V-3

2817. 22413-05-4 1 1 1 Eicosanoic acid, hexadecyl ester H3C-(CH2)18-COO-(CH2)15-CH3 V-3

2818. 1120-28-1 1 0 0 Eicosanoic acid, methyl ester H3C-(CH2)18-COO-CH3 V-3

2819. 36610-60-3 1 1 1 Eicosanoic acid, nonadecyl ester H3C-(CH2)18-COO-(CH2)18-CH3 V-3

2820. 55309-61-0 1 1 1 Eicosanoic acid, octacosyl ester H3C-(CH2)18-COO-(CH2)27-CH3 V-3

113


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Chapter

Table

2821. 22432-79-7 1 1 1 Eicosanoic acid, octadecyl ester H3C-(CH2)18-COO-(CH2)17-CH3 V-3

2822. 121877-79-0 1 1 1 Eicosanoic acid, pentacosyl ester H3C-(CH2)18-COO-(CH2)24-CH3 V-3

2823. 36665-69-7 1 1 1 Eicosanoic acid, pentadecyl ester H3C-(CH2)18-COO-(CH2)14-CH3 V-3

2824. 42232-89-3 1 1 1 Eicosanoic acid, tetracosyl ester H3C-(CH2)18-COO-(CH2)23-CH3 V-3

2825. 22413-04-3 1 1 1 Eicosanoic acid, tetradecyl ester H3C-(CH2)18-COO-(CH2)13-CH3 V-3

2826. 71278-14-3 1 0 0 Eicosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester

V-3

2827. 42232-88-2 1 1 1 Eicosanoic acid, tricosyl ester H3C-(CH2)18-COO-(CH2)32-CH3 V-3

2828. 36610-55-6 1 1 1 Eicosanoic acid, tridecyl ester H3C-(CH2)18-COO-(CH2)12-CH3 V-3

2829. 36332-93-1 1 1 1 Eicosanoic acid, 18-methyl- H3C-CH2-CH(CH3)-(CH2)16-COOH IV.A-3

2830. 121877-60-9 1 1 1 Eicosanoic acid, 18-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)16-COO-(CH2)21-CH3

V-3

2831. 59708-73-5 0 1 0 Eicosanoic acid, 19-methyl- (H3C)2=CH-(CH2)17-COOH IV.A-3

2832. 629-96-9 1 1 1 1-Eicosanol {arachic alcohol} H3C-(CH2)18-CH2OH II.A-5

2833. 0 1 0 1-Eicosanol, 18-methyl- II.A-5

2834. 0 1 0 1-Eicosanol, 19-methyl- II.A-5

2835. 4340-76-5 1 0 0 2-Eicosanol II.A-5

2836. 7431-92-7 1 0 0 2,6,10,14,18-Eicosapentaene, 2,6,10,14,18-pentamethyl-, (all-E)-

H-[CH2-C(CH3)=CH-CH2]5-H I.B-1

2837. 75581-03-2 1 0 0 2,6,10,14,18-Eicosapentaene, 2,6,10,14,18-pentamethyl-

I.B-1

2838. 1 0 0 2,6,10,14,18-Eicosapentaene, 2,6,10,14,18-pentamethyl- {isomer}

I.B-1

2839. 506-32-1 1 1 1 5,8,11,14-Eicosatetraenoic acid, (all-Z)- {arachidonic acid}

IV.A-3

2840. 55682-88-7 0 1 0 11,14,17-Eicosatrienoic acid, methyl ester V-3

2841. 1 0 0 Eicosene I.B-1

2842. 3452-07-1 1 1 1 1-Eicosene H2C=CH-(CH2)17-CH3 I.B-1

2843. 1 0 0 1-Eicosene, 2-methyl- H2C=C(CH3)-(CH2)17-CH3 I.B-1

2844. 1 0 0 2-Eicosene, (Z)- H3C-CH=CH-(CH2)16-CH3 I.B-1

2845. 1 0 0 2-Eicosene, (E)- I.B-1

2846. 1 0 0 2-Eicosene, 2-methyl- H3C-C(CH3)=CH-(CH2)16-CH3 I.B-1

2847. 1 0 0 2-Eicosene, 18-methyl-, (Z)- H3C-CH=CH-(CH2)14-CH(CH3)-CH2-CH3 I.B-1

2848. 1 0 0 2-Eicosene, 18-methyl-, (E)- I.B-1

2849. 1 0 0 2-Eicosene, 19-methyl-, (Z)- H3C-CH=CH-(CH2)15-CH(CH3)2 I.B-1

2850. 1 0 0 2-Eicosene, 19-methyl-, (E)- I.B-1

2851. 26764-41-0 1 1 1 Eicosenoic acid IV.A-3

2852. 22104-85-4 0 1 0 2-Eicosen-1-ol H3C-(CH2)16-CH=CH-CH2OH II.A-5

2853. 159844-36-7 0 1 0 Enzyme E 2 (Arabidopsis thaliana clone TAY029 gene UbcAt3 ubiquitin-carrier)

XXII-2

2854. 38419-69-1 0 1 0 6H-3,10b-Epoxy-1H-naphtho[2,1-b]pyran, decahydro-3,4a,7,7,10a-pentamethyl-, [3S-

(3α,4aβ,6aα,10aβ,10bα)]-

X-2

2855. 7440-52-0 1 1 1 Erbium XX-5

114


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Chapter

Table

2856. 474-62-4 1 1 1 Ergost-5-en-3-ol, (3β,24R)- {campesterol} II.B-2

2857. 26047-31-4 0 1 0 Ergost-7-en-3-ol, (3β)- II.B-2

2858. 17105-75-8 1 0 0 Ergost-7-en-3-ol, (3β,24ξ)- II.B-2

2859. 33860-48-9 0 1 0 Ergost-8-en-3-ol, 14-methyl-, (3β,5α)- II.B-2

2860. 16910-33-1 0 1 0 Ergost-8-en-3-ol, 4,14-dimethyl-, (3β,4α,5α)- II.B-2

2861. 70116-48-2 0 1 0 Ergost-8-en-3-ol, 4,14-dimethyl-, (3β,4α,5α,24ξ)- II.B-2

2862. 77327-07-2 1 0 0 Ergosta-3,5,7-triene, (24ξ)- I.C-1 R

R = -(CH2)2-CH(CH3)-CH(CH3)2

2863. 19254-69-4 0 1 0 Ergosta-4,6,8(14),22-tetraen-3-one, (22E)- III-13

H3C

H3C

CH3CH3

CH3

H3C

O

1

2

3

4 6

75

8

2864. 474-67-9 0 1 0 Ergosta-5,22-dien-3-ol, (3β,22E)- II.B-2

2865. 474-63-5 0 1 0 Ergosta-5,24(28)-dien-3-ol, (3β)- II.B-2

2866. 52936-69-3 0 1 0 Ergosta-5,25-dien-3-ol, (3β)- II.B-2

2867. 57-87-4 1 1 1 Ergosta-5,7,22-trien-3-ol, (3β,22E)- {ergosterol} II.B-2

HO

H3C

H3C

CH3CH3

CH3

H3C

2868. 21490-25-5 0 1 0 Ergosta-7,24(28)-dien-3β-ol, 4β-methyl- II.B-2

2869. 474-68-0 0 1 0 Ergosta-7,24(28)-dien-3-ol, (3β,5α)- II.B-2

2870. 1176-52-9 0 1 0 Ergosta-7,24(28)-dien-3-ol, 4-methyl-, (3β,4α,5α)- II.B-2

2871. 74635-33-9 0 1 0 Ergosta-8,14,24(28)-trien-3-ol, 4-methyl-,

(3β,4α,5α)-

II.B-2

2872. 23839-47-6 0 1 0 Ergosta-8,14-dien-3-ol, (3β,5α)- II.B-2

2873. 33886-74-7 0 1 0 Ergosta-8,24(28)-dien-3-ol, 14-methyl-, (3β,5α)- II.B-2

2874. 16910-32-0 0 1 0 Ergosta-8,24(28)-dien-3-ol, 4,14-dimethyl-,

(3β,4α,5α)-

II.B-2

2875. 80736-41-0 0 1 0 Ergostan-6-one, 2,3,22,23-tetrahydroxy-,

(2α,3α,5α,22R, 23R,24S)-

III-13, II.B-2

2876. 121468-15-3 0 1 0 Ergostan-6-one, 2,3,22,23-tetrahydroxy-,

(2α,3β,5α,22R,23R,24S)-

III-13, II.B-2

2877. 92751-21-8 0 1 0 Ergostan-6-one, 3,22,23-trihydroxy-,

(3β,5α,22R,23R,24S)-

III-13, II.B-2

2878. 87734-68-7 0 1 0 Ergostan-6-one, 3,22,23-trihydroxy-,

(3α,5α,22R,23R,24S)-

III-13, II.B-2

115


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Chapter

Table

2879. 0 1 0 Erlose (a trisaccharide) II.A-5

2880. 9013-79-0 0 1 0 Esterase XXII-2

2881. 9025-98-3 0 1 0 Esterase, pectin XXII-2

2882. 75-04-7 1 1 1 Ethanamine {ethylamine} H3C-CH2-NH2 XII-2

2883. 51-75-2 1 0 0 Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl- (Cl-CH2-CH2)2=N-CH3 XII-2, XVIII.B-3

2884. 121-44-8 1 1 1 Ethanamine, N,N-diethyl- {triethylamine} (H3C-CH2)3≡N XII-2

2885. 1 0 0 Ethanamine, N,1-dimethyl-N-nitroso- XV-8

2886. 109-89-7 1 1 1 Ethanamine, N-ethyl- {diethylamine} (H3C-CH2)2=NH XII-2

2887. 55-18-5 1 1 1 Ethanamine, N-ethyl-N-nitroso- {NDEA} (H3C-CH2)2=N-NO XV-8

2888. 624-78-2 1 1 1 Ethanamine, N-methyl- H3C-CH2-NH-CH3 XII-2

2889. 10595-95-6 1 1 1 Ethanamine, N-methyl-N-nitroso- {NEMA} H3C-CH2-N(NO)-CH3 XV-8

2890. 97190-07-3 0 1 0 Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, monooctadecadienoate monooctadecatrienoate, (all-Z)-

XII-2

2891. 97190-09-5 0 1 0 Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, monohexadecanoate monooctadecatrienoate, (Z,Z,Z)-

XII-2

2892. 97190-10-8 0 1 0 Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, hydroxide, inner salt, monohexadecanoate monooctadecadienoate, (Z,Z)-

XII-2

2893. 97190-12-0 0 1 0 Ethanaminium, 2-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,N- trimethyl-, hydroxide, inner salt, monooctadecadienoate

XII-2

2894. 62-49-7

123-41-1

0 1 0 Ethanaminium, 2-hydroxy-N,N,N-trimethyl- {choline}

HO-(CH2)2-N+≡(CH3)3 XII-2

2895. 8002-43-5 0 1 0 Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, phosphatidyl- {lecithin}

XII-2

2896. 74-84-0 1 0 0 Ethane H3C-CH3 I.A-10

2897. 0 1 0 Ethane, bis(4-methylphenyl)- I.D-1

2898. 1 1 1 Ethane, 1-chloro-2-bromotetrafluoro-

{Freon® 114b1}

ClF2C-CF2Br XVIII.B-3

2899. 75-88-7 1 1 1 Ethane, 1-chloro-2,2,2-trifluoro- {Freon® 133a} ClCH2-CF3 XVIII.B-3

2900. 624-89-5 1 0 0 Ethane, (methylthio)- XVIII.A-1

2901. 60-29-7 1 1 1 Ethane, 1,1'-oxybis- {ethyl ether} X-2

2902. 352-93-2 1 0 0 Ethane, 1,1'-thiobis- XVIII.A-1

2903. 106-93-4 0 1 0 Ethane, 1,2-dibromo-

{ethylene dibromide, EDB®, Bromofume®}

Br-CH2-CH2-Br XVIII.B-3, XXI-3

2904. 107-06-2 1 0 0 Ethane, 1,2-dichloro- XVIII.B-3

2905. 306-83-2 1 1 1 Ethane, 2,2-dichloro-1,1,1-trifluoro- {Freon® 123} Cl2CH-CF3 XVIII.B-3

2906. 104-66-5 0 1 0 Ethane, 1,2-diphenoxy- C6H5-O-CH2CH2-OC6H5 X-2

2907. 75-00-3 1 0 0 Ethane, chloro- C2H5-Cl XVIII.B-3

116


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Selected structures

Chapter

Table

2908. 540-67-0 1 0 0 Ethane, methoxy- C2H5-O-CH3 X-2

2909. 79-24-3 1 0 0 Ethane, nitro- C2H5-NO2 XVI-1

2910. 811-97-2 1 1 1 Ethane, 1,1,1,2-tetrafluoro- {Freon® 134a} FCH2-CF3 XVIII.B-3

2911. 71-55-6 1 0 0 Ethane, 1,1,1-trichloro- H3C-C≡Cl3 XVIII.B-3

2912. 72-43-5 0 1 0 Ethane, 1,1,1-trichloro-2,2-bis(4-methoxyphenyl)- {Methoxychlor®}

O

CCl3

O


2913. 25323-89-1 0 1 0 Ethane, 1,2,2-trichloro- XVIII.B-3, XXI-3

2914. 151-67-7 1 1 1 Ethane, 1,1,1-trifluoro-2-bromo-2-chloro-

{Freon® 123b1, Halothane}

ClBrCH-CF3 XVIII.B-3

2915. 107-22-2 1 1 1 Ethanedial {glyoxal} O=CH-CH=O III-12

2916. 460-19-5 1 0 0 Ethanedinitrile {cyanogen} NC-CN XI-2

2917. 0 1 0 Ethanedioate {oxalate} XX-6

2918. 144-62-7 1 1 1 Ethanedioic acid {oxalic acid} HOOC-COOH IV.A-3

2919. 1 1 1 Ethanedioic acid, labeled with 14

C {oxalic acid-

14C}

XXV-29

2920. 14258-49-2 0 1 0 Ethanedioic acid, ammonium salt XX-6

2921. 17787-48-3 0 1 0 Ethanedioic acid, calcium salt (1:1), hydrate (2:5) XX-6

2922. 25454-23-3 0 1 0 Ethanedioic acid, calcium salt XX-6

2923. 95-92-1 0 1 0 Ethanedioic acid, diethyl ester V-3

2924. 583-52-8 0 1 0 Ethanedioic acid, dipotassium salt XX-6

2925. 6018-94-6 0 1 0 Ethanedioic acid, nickel salt XX-6

2926. 17480-26-1 0 1 0 Ethanedioic acid, tin salt {stannous oxalate} XX-6

2927. 542-10-9 1 0 0 1,1-Ethanediol, diacetate V-3

2928. 107-21-1 1 1 1 1,2-Ethanediol {ethylene glycol} HOCH2-CH2OH II.A-5

2929. 111-55-7 1 0 0 1,2-Ethanediol, diacetate V-3

2930. 534-82-7 0 1 0 1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)- II.A-5

2931. 542-59-6

1 0 0 1,2-Ethanediol, monoacetate

{acetic acid, 2-hydroxyethyl ester}

HO-(CH2) 2-OOC-CH3 II.A-5, V-3

2932. 134-81-6 1 0 0 Ethanedione, diphenyl- {benzil} C6H5-CO-CO-C6H5 III-13

2933. 107-35-7 0 1 0 Ethanesulfonic acid, 2-amino- {taurine} H2N-(CH2)2-SO3H XII-2, XVIII.A-1

2934. 75-08-1 1 0 0 Ethanethiol {ethyl mercaptan} C2H5-SH XVIII.A-1

2935. 40460-44-4 0 1 0 1,1,2-Ethanetriol II.A-5

2936. 23135-22-0 0 1 0 Ethanimidothioic acid, 2-(dimethylamino)-N-[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester

{Oxamyl®}

(H3C)2=N-CO-C(S-CH3)=N-OOC-NH-CH3

V-3, XXI-3

2937. 59669-26-0 0 1 0 Ethanimidothioic acid, N',N'-(thiobis((methylimino)carbonyloxy))bis-, dimethyl ester {Thiodicarb®}

S=[NH-COO-N=C(CH3)-SCH3]2 XXI-3

2938. 64-17-5 1 1 1 Ethanol {ethyl alcohol} H3C-CH2OH II.A-5

2939. 108-01-0 1 0 0 Ethanol, 2-(dimethylamino)- (H3C)2=N-CH2-CH2OH II.A-5, XII-2

2940. 109-83-1 0 1 0 Ethanol, 2-(methylamino)- H3C-NH-CH2-CH2OH II.A-5, XII-2

2941. 1116-54-7 1 1 1 Ethanol, 2,2'-(nitrosoimino)bis- {NDELA} (HO-CH2CH2)2=N-NO XV-8

117


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Selected structures

Chapter

Table

2942. 112-27-6 1 1 1 Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis- {triethylene glycol}

HO-(CH2) 2-O-(CH2) 2-O-(CH2) 2-OH II.A-5

2943. 111-21-7 1 1 1 Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate V-3

2944. 112-60-7 0 1 0 Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis- {tetraethylene glycol}

II.A-5

2945. 30934-97-5 1 0 0 Ethanol, 2,2-dimethoxy- II.A-5, X-2

2946. 111-42-2 1 1 1 Ethanol, 2,2'-iminobis- {diethanolamine} (HO-CH2CH2)2=NH II.A-5, XII-2

2947. 111-46-6 1 1 1 Ethanol, 2,2'-oxybis- {diethylene glycol} (HO-CH2CH2)2=O II.A-5

2948. 141-43-5 0 1 0 Ethanol, 2-amino- {ethanolamine} HO-CH2CH2-NH2 II.A-5, XII-2

2949. 1071-23-4 0 1 0 Ethanol, 2-amino-, dihydrogen phosphate (ester) XII-2

2950. 78-51-3 1 0 0 Ethanol, 2-butoxy-, phosphate (3:1) [H3C-(CH2)3-O-(CH2)2]3≡P=O V-3

2951. 110-80-5 1 1 1 Ethanol, 2-ethoxy- HO-CH2CH2-O-CH2CH3 II.A-5, X-2

2952. 109-86-4 1 1 1 Ethanol, 2-methoxy- HO-CH2CH2-O-CH3 II.A-5, X-2

2953. 122-99-6 0 1 0 Ethanol, 2-phenoxy- C6H5O-CH2CH2-OH II.A-5, X-2

2954. 1321-27-3 1 1 1 Ethanol, phenyl-: Previously listed as

60-12-8 Benzeneethanol

II.A-5

2955. 115-32-2 0 1 0 Ethanol, 2,2,2-trichloro-1,1-bis(4-chlorophenyl)-

{Dicofol®}

Cl Cl

OHCl3C

XVIII.B-3, XXI-3

2956. 1 0 0 Ethanone, 1-(alkyl-1H-pyrrolyl)- III-13, XVII.A-4

2957. 78210-69-2 1 0 0 Ethanone, 1-(1,2-dihydro-2-methyl-3-pyridinyl)- III-13, XVII.B-2

2958. 117210-49-8 0 1 0 Ethanone, 1-(1,4,4a,5,6,7,8,8a-octahydro-4a,8,8-trimethyl-2-naphthalenyl)-, (4aR-trans)-

III-13

2959. 932-66-1 1 0 0 Ethanone, 1-(1-cyclohexen-1-yl)- III-13

2960. 1 0 0 Ethanone, 1-(dimethylphenyl)- {dimethylacetophenone}

III-13

2961. 26444-19-9 1 0 0 Ethanone, 1-(methylphenyl)- {methylacetophenone}

III-13

2962. 1 0 0 Ethanone, 1-(methyl-1H-pyrrolyl)- III-13, XVII.A-4

2963. 20583-33-9 0 1 0 Ethanone, 1-(1H-pyrazol-3-yl)- III-13, XVII.A-4

2964. 25016-16-4 0 1 0 Ethanone, 1-(1H-pyrazol-4-yl)- III-13, XVII.A-4

2965. 1072-83-9 1 1 1 Ethanone, 1-(1H-pyrrol-2-yl)-

{2-acetylpyrrole; methyl 2-pyrrolyl ketone}

III-13, XVII.A-4

2966. 1072-82-8 1 1 1 Ethanone, 1-(1H-pyrrol-3-yl)-

{3-acetylpyrrole; methyl 3-pyrrolyl ketone}

III-13, XVII.A-4

2967. 711-79-5 1 1 1 Ethanone, 1-(1-hydroxy-2-naphthalenyl)- III-13

2968. 20970-50-7 1 0 0 Ethanone, 1-(1-methyl-1H-imidazol-5-yl)- III-13, XVII.A-4

2969. 37687-18-6 1 0 0 Ethanone, 1-(1-methyl-1H-pyrazol-4-yl)- III-13, XVII.A-4

2970. 932-16-1 1 1 1 Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)- III-13, XVII.A-4

2971. 932-62-7 1 1 1 Ethanone, 1-(1-methyl-1H-pyrrol-3-yl)- III-13, XVII.A-4

2972. 70987-81-4 1 1 1 Ethanone, 1-(1,2,3-trimethyl-2-cyclopenten-2-yl)- III-13

118


CAS No.

S

T

S

T


Selected structures

Chapter

Table

2973. 779-90-8 0 1 0 Ethanone, 1,1’,1”-(1,3,5-benzenetriyl)tris-

{1,3,5-triacetylbenzene}

CO-CH3

CO-CH3H3C-CO

III-13

2974. 1 0 0 Ethanone, 1-(2-alkylphenyl)- III-13

2975. 55041-85-5 1 1 1 Ethanone, 1-(2,3-dihydro-1H-pyrrolizin-5-yl)- III-13, XVII.A-4

2976. 19005-95-9 1 0 0 Ethanone, 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)- III-13, XVII.A-4

2977. 85213-22-5 0 1 0 Ethanone, 1-(2,5-dihydro-1H-pyrrol-2-yl)- {2-acetylpyrroline}

III-13, XVII.A-4

2978. 1 0 0 Ethanone, 1-(2,5-dihydro-5-methyl-1H-pyrrol-3-yl)- III-13, XVII.A-4

2979. 490-78-8 1 0 0 Ethanone, 1-(2,5-dihydroxyphenyl)- OH

CO-CH3

HO

3

4

5

2

III-13, IX.A-22

2980. 1500-94-3 1 0 0 Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)- III-13, XVII.A-4

2981. 1197-92-8 0 1 0 Ethanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)- III-13

2982. 699-83-2 1 0 0 Ethanone, 1-(2,6-dihydroxyphenyl)- III-13, IX.A-22

2983. 1192-62-7 1 1 1 Ethanone, 1-(2-furanyl)- {2-acetylfuran}

OCO-CH3

III-13, X-2

2984. 19859-79-1 1 0 0 Ethanone, 1-(2-furanyl)-2-(acetyloxy)- III-13, X-2

2985. 17678-19-2 1 0 0 Ethanone, 1-(2-furanyl)-2-hydroxy-

O

CO-CH2OH

III-13, X-2

2986. 703-98-0 1 0 0 Ethanone, 1-(2-hydroxy-3-methoxyphenyl)- III-13, IX.A-22, X-2

2987. 6921-64-8 0 1 0 Ethanone, 1-(2-hydroxy-4-methylphenyl)- III-13, IX.A-22



2990. 0 1 0 Ethanone, 1-(2-hydroxy-6-methylphenyl)- III-13, IX.A-22

2991. 118-93-4 1 1 1 Ethanone, 1-(2-hydroxyphenyl)- III-13, IX.A-22


2993. 577-16-2 1 1 1 Ethanone, 1-(2-methylphenyl)-

{2-methylacetophenone}

III-13

2994. 0 1 0 Ethanone, 1-[2-methyl-5-(1-methylethyl)-phenyl]- III-13

2995. 1122-62-9 1 1 1 Ethanone, 1-(2-pyridinyl)- {2-acetylpyridine} III-13, XVII.B-2

2996. 60026-20-2 1 1 1 Ethanone, 1-(2-pyrrolidinyl)- {2-acetylpyrrolidine} III-13, XVII.A-4

2997. 24295-03-2 0 1 0 Ethanone, 1-(2-thiazolyl)- {2-acetylthiazole} III-13, XVIII.A-1

2998. 88-15-3 0 1 0 Ethanone, 1-(2-thienyl)- {2-acetylthiophene} III-13, XVIII.A-1

2999. 0 1 0 Ethanone, 1-[2,3-dihydro-2-(1-methylethyl)-inden-4-yl]-

III-13

3000. 0 1 0 Ethanone, 1-[3,4-dihydro-6-(1-methylethyl)-inden-4-yl]-pyran-2-yl]-

III-13

3001. 0 1 0 Ethanone, 1-(3,4-dihydro-4-methylpyrazin-2-yl)- III-13, XVII.B-2


3003. 1131-62-0 1 0 0 Ethanone, 1-(3,4-dimethoxyphenyl)- III-13

119


CAS No.

S

T

S

T


Selected structures

Chapter

Table

3004. 4478-63-1 0 1 0 Ethanone, 1-(3,3-dimethyloxiranyl)- {mesityl oxide epoxide}

O

CO-CH3

H3C

H3C

III-13, X-2

3005. 3637-01-2 1 0 0 Ethanone, 1-(3,4-dimethylphenyl)- III-13


3007. 117210-50-1 0 1 0 Ethanone, 1-(3a,4,5,6,7,7a-hexahydro-3a,7,7-trimethyl-1H-inden-2-yl)-, (3aR-trans)-

III-13

3008. 66611-15-2 1 0 0 Ethanone, 1-(3-benzofuranyl)- III-13, X-2

3009. 22699-70-3 1 0 0 Ethanone, 1-(3-ethylphenyl)- III-13

3010. 14313-09-8 1 0 0 Ethanone, 1-(3-furanyl)- III-13, X-2

3011. 3420-59-5 0 1 0 Ethanone, 1-(3-hydroxy-2-furanyl)- {isomaltol} II.A-5, III-13, X-2

3012. 1 0 0 Ethanone, 1-(3-hydroxy-2-methoxyphenyl)- III-13, IX.A-22, X-2




3016. 586-37-8 1 0 0 Ethanone, 1-(3-methoxyphenyl)- III-13, X-2



3019. 585-74-0 1 1 1 Ethanone, 1-(3-methylphenyl)- {3-methylacetophenone}

III-13

3020. 23787-80-6 1 1 1 Ethanone, 1-(3-methylpyrazinyl)- {2-acetyl-3-methylpyrazine}

N

N

CO-CH3

CH3

III-13, XVII.B-2

3021. 350-03-8 1 1 1 Ethanone, 1-(3-pyridinyl)-

{3-acetylpyridine or methyl 3-pyridyl ketone}

III-13, XVII.B-2

3022. 25343-57-1 0 1 0 Ethanone, 1-[3-(1,4,5,6-tetrahydropyridinyl)]- III-13, XVII.B-2

3023. 27300-27-2 0 1 0 Ethanone, 1-[3-(3,4,5,6-tetrahydropyridinyl)]- III-13, XVII.B-2

3024. 59576-31-7 1 0 0 Ethanone, 1-(4,6-dimethyl-2-pyridinyl)- III-13, XVII.B-2

3025. 37920-25-5 1 0 0 Ethanone, 1-(4-butylphenyl)- III-13

3026. 1676-63-7 1 0 0 Ethanone, 1-(4-ethoxyphenyl)- III-13, X-2

3027. 66309-77-1 1 0 0 Ethanone, 1-(4-ethyl-2,3-dimethylphenyl)- III-13


3029. 2478-38-8 1 0 0 Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- III-13, IX.A-22, X-2

3030. 498-02-2 1 1 1 Ethanone, 1-(4-hydroxy-3-methoxyphenyl)- {acetovanillone}

III-13, IX.A-22, X-2


3032. 100-06-1 1 1 1 Ethanone, 1-(4-methoxyphenyl)- {acetanisole} III-13, X-2


3034. 122-00-9 1 1 1 Ethanone, 1-(4-methylphenyl)- {4-methylacetophenone}

III-13

3035. 59576-26-0 1 0 0 Ethanone, 1-(4-methyl-2-pyridinyl)- III-13, XVII.B-2

3036. 1122-54-9 1 1 1 Ethanone, 1-(4-pyridinyl)- {4-acetylpyridine} III-13, XVII.B-2

3037. 38205-66-2 1 0 0 Ethanone, 1-(4-thiazolyl)- {4-acetylthiazole} III-13, XVIII.A-1

120


CAS No.

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T

S

T


Selected structures

Chapter

Table

3038. 6982-72-5 1 1 1 Ethanone, 1-(5-methyl-1H-pyrrol-2-yl)- {2-acetyl-5-methylpyrrole}

III-13, XVII.A-4

3039. 1193-79-9 1 1 1 Ethanone, 1-(5-methyl-2-furanyl)- {2-acetyl-5-methylfuran}

III-13, X-2


3041. 22047-27-4 1 1 1 Ethanone, 1-(5-methylpyrazinyl)-

{2-acetyl-5-methylpyrazine}

N

N

CO-CH3

H3C

III-13, XVII.B-2

3042. 78210-67-0 1 0 0 Ethanone, 1-(5-propyl-1H-imidazol-4-yl)- III-13, XVII.A-4



3045. 22047-26-3 1 1 1 Ethanone, 1-(6-methylpyrazinyl)- {2-acetyl-6-methylpyrazine}

III-13, XVII.B-2

3046. 61891-76-7 1 0 0 Ethanone, 1-(dihydro-3,4-dimethylpyrrol-2-yl)- III-13, XVII.A-4

3047. 78249-86-2 1 0 0 Ethanone, 1-(dimethylpyridinyl)- III-13, XVII.B-2

3048. 25496-14-4 1 0 0 Ethanone, 1-(ethylphenyl)- III-13

3049. 25154-45-4 1 0 0 Ethanone, 1-(furanyl)- III-13, X-2

3050. 692-73-0 1 0 0 Ethanone, 1-(hydroxymethylphenyl)- III-13

3051. 70587-92-7 1 0 0 Ethanone, 1-(hydroxyphenyl)- III-13, IX.A-22

3052. 71278-10-9 1 0 0 Ethanone, 1-(methyl-2-furanyl)- III-13

3053. 74430-25-4 1 0 0 Ethanone, 1-(methylfuranyl)- III-13

3054. 1 0 0 Ethanone, 1-(methylpyridinyl)- {2 isomers} III-13, XVII.B-2

3055. 1333-52-4 1 1 1 Ethanone, 1-(naphthalenyl)-

{methyl naphthyl ketone}

III-13

3056. 25252-64-6 1 0 0 Ethanone, 1-(tetrahydro-2-furanyl)- III-13, X-2

3057. 121198-50-3 1 0 0 Ethanone, 1-(tetrahydrofuranyl)- III-13, X-2

3058. 13678-73-4 0 1 0 Ethanone, 1-[1-(2-furanylmethyl)-1H-pyrrol-2-yl]- III-13, X-2

3059. 22583-61-5 1 0 0 Ethanone, 1-[2-(1,1-dimethylethyl)phenyl]- III-13

3060. 112523-81-6 0 1 0 Ethanone, 1-[2,3,3a,4,6a,7,8,9,9a,9b-decahydro-5,9a-dimethyl-7-(1-methylethyl)-1H-cyclopent[a]azulen-3-yl]-, [3R-

(3α,3aα,6aβ,7β,9aα,9bβ)]-

III-13

3061. 152186-01-1 0 1 0 Ethanone, 1-[2,3,3a,4,6a,7,8,9,9a,9b-decahydro-5,9a-dimethyl-7-(1-methylethyl)-1H-cyclopent[a]azulen-3-yl]-,

(3α,3aα,6aβ,7β,9aα,9bβ)-(±)-

III-13

3062. 1767-84-6 0 1 0 Ethanone, 1-(2-methyl-2-cyclopenten-1-yl)- III-13

3063. 94390-73-5 1 0 0 Ethanone, 1-[2-methyl-5-(1-methylethyl)-2,5-cyclohexadien-1-yl]-

III-13

3064. 1202-08-0 0 1 0 Ethanone, 1-[2-methyl-5-(1-methylethyl)phenyl]- III-13

3065. 51297-35-9 0 1 0 Ethanone, 1-[3-(1-ethyl-2-methylpropyl)oxiranyl]- III-13

3066. 31577-86-3

43219-68-7

0 1 0 Ethanone, 1-[3-(1-methylethenyl)cyclopentyl]- {two isomers}

III-13

3067. 120056-06-6 0 1 0 Ethanone, 1-[3-(decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl) oxiranyl]-, [1S-

[1α(2S*,3R*),2β,4a

III-13, X-2

3068. 1 0 0 Ethanone, 1-[4-(2,6-dimethylpyridinyl)]- III-13, XVII.B-2

121


CAS No.

S

T

S

T


Selected structures

Chapter

Table

3069. 55087-82-6 1 0 0 Ethanone, 1-[5-(hydroxymethyl)-2-furanyl]- II.A-5, III-13

3070. 52812-41-6 0 1 0 Ethanone, 1-[5-methyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]oct-7-yl]-

III-13, X-2

3071. 57934-85-7 0 1 0 Ethanone, 1-[5-methyl-2-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]oct-7-yl]-, (exo,exo)-(±)-

III-13, X-2

3072. 123695-66-9 1 0 0 Ethanone, 1-[6-hydroxy-6-methyl-3-(1-methylethyl)-2-cyclohexen-1-yl]-

II.A-5, III-13

3073. 823-76-7 0 1 0 Ethanone, 1-cyclohexyl- III-13

3074. 57276-33-2 1 0 0 Ethanone, 1-cyclopropyl-2-(3-pyridinyl)- III-13, XVII.B-2

3075. 98-86-2 1 1 1 Ethanone, 1-phenyl- {acetophenone} III-13

3076. 2243-35-8 0 1 0 Ethanone, 1-phenyl-2-(acetyloxy)- III-13

3077. 22047-25-2 1 1 1 Ethanone, 1-pyrazinyl- {acetylpyrazine} III-13, XVII.B-2

3078. 574-06-1 1 0 0 Ethanone, 1,2-diphenyl-2-(acetyloxy)- {benzoin acetate}

III-13, V-3

3079. 593-67-9 1 0 0 Ethenamine H2C=CH-NH2 XII-2

3080. 74-85-1 1 1 1 Ethene {ethylene} H2C=CH2 I.B-1, XXI-3

3081. 75-01-4 0 1 0 Ethene, chloro- {vinyl chloride} H2C=CH-Cl XVIII.B-3

3082. 79-38-9 1 1 1 Ethene, chlorotrifluoro- {Freon® 1113} ClFC=CF2 XVIII.B-3

3083. 79-35-6 1 1 1 Ethene, 1,1-dichloro-2,2-difluoro- {Freon® 1112a} Cl2C=CF2 XVIII.B-3

3084. 0 1 0 Ethene, 1-(4-hydroxyphenyl)-2-(3,5-dihydroxyphenyl)- {resveratrol}

IX.A-22

3085. 102-61-4 0 1 0 Ethene, 1-(phenyl)-2-(3,5-dihydroxyphenyl)- {pinosylvin}

IX.A-22

3086. 127-18-4 1 0 0 Ethene, tetrachloro- Cl2C=CCl2 XVIII.B-3

3087. 79-01-6 1 0 0 Ethene, trichloro- Cl2C=CHCl XVIII.B-3

3088. 463-51-4 1 0 0 Ethenone {ketene} H2C=CO III-13

3089. 2154-50-9 1 0 0 Ethoxyl radical OCH2CH3 XXVII-1

3090. 74-86-2 1 0 0 Ethyne {acetylene} HC≡CH I.B-1

3091. 7440-53-1 1 1 1 Europium Eu XX-5

3092. 378750-46-0 1 1 1 Europium, isotope of mass 152 152

Eu XX-5

3093. 9040-09-9 0 1 0 Ferredoxins XXII-2

3094. 29732-48-7 0 1 0 Flavylium, 3-[[O-(6-deoxymannosyl)-D-glucosyl]oxy]-3',4',5,5',7-pentahydroxy-, chloride

II.A-5, XVIII.B-3

3095. 0 1 0 Flavylium, 3-[[O-(6-deoxymannosyl)-D-glucosyl]oxy]-3',4',5,7-tetrahydroxy-, chloride

II.A-5, IIIXVIII.B-3

3096. 1 0 0 Fluoraninene, ethylmethyl- I.E-6

3097. 2693-46-1 1 0 0 3-Fluoranthenamine XII-2

3098. 206-44-0 1 1 1 Fluoranthene 1 2

3

4

56

7

8

9

10

I.E-6

3099. 1 0 0 Fluoranthene, alkyl- I.E-6

3100. 41593-24-2 1 0 0 Fluoranthene, dihydro- I.E-6

3101. 71278-25-6 1 0 0 Fluoranthene, dihydromethyl- I.E-6

122


CAS No.

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T

S

T


Selected structures

Chapter

Table

3102. 60826-74-6 1 0 0 Fluoranthene, dimethyl- {at least 4 isomers in MSS}

I.E-6

3103. 25889-63-8 1 0 0 Fluoranthene, 8,9-dimethyl- I.E-6

3104. 55220-72-9 1 0 0 Fluoranthene, ethyl- I.E-6

3105. 71277-96-8 1 0 0 Fluoranthene, ethylmethyl- I.E-6

3106. 71277-97-9 1 0 0 Fluoranthene, hexamethyl- I.E-6

3107. 30997-39-8 1 0 0 Fluoranthene, methyl- I.E-6

3108. 25889-60-5 1 0 0 Fluoranthene, 1-methyl- I.E-6





3113. 71277-98-0 1 0 0 Fluoranthene, pentamethyl- {at least 2 isomers in MSS}

I.E-6

3114. 55220-69-4 1 0 0 Fluoranthene, propyl- I.E-6

3115. 71277-99-1 1 0 0 Fluoranthene, tetramethyl- I.E-6

3116. 41637-87-0 1 0 0 Fluoranthene, trimethyl- I.E-6

3117. 1 0 0 Fluorenamine XII-2

3118. 64294-96-8 1 0 0 9H-Fluorenamine XII-2

3119. 6344-63-4 1 0 0 9H-Fluoren-1-amine XII-2


3121. 1 0 0 9H-Fluoren-4-amine XII-2


3123. 86-73-7 1 1 1 9H-Fluorene 1

2

3456

7

89

I.E-6

3124. 30582-01-5 1 1 1 9H-Fluorene, dimethyl- {at least 5 isomers in MSS}

I.E-6

3125. 1 0 0 9H-Fluorene, ?,9-dimethyl- I.E-6

3126. 17057-98-6 1 0 0 9H-Fluorene, 1,9-dimethyl- I.E-6



3129. 71278-00-7 1 0 0 9H-Fluorene, dimethylethyl- I.E-6

3130. 65319-49-5 1 0 0 9H-Fluorene, ethyl- {at least 2 isomers in MSS} I.E-6

3131. 1207-20-1 1 0 0 9H-Fluorene, 2-ethyl- I.E-6

3132. 2294-82-8 1 0 0 9H-Fluorene, 9-ethyl- I.E-6

3133. 71278-01-8 1 0 0 9H-Fluorene, ethylmethyl- {at least 2 isomers in MSS}

I.E-6

3134. 26914-17-0 1 1 1 9H-Fluorene, methyl- I.E-6

3135. 1730-37-6 1 0 0 9H-Fluorene, 1-methyl- I.E-6




123


CAS No.

S

T

S

T


Selected structures

Chapter

Table


3140. 4425-82-5 1 0 0 9H-Fluorene, 9-methylene- I.E-6

3141. 63372-50-9 1 0 0 9H-Fluorene, tetramethyl- I.E-6

3142. 30582-02-6 1 0 0 9H-Fluorene, trimethyl- I.E-6

3143. 6276-03-5 1 1 1 9H-Fluorene-1-carboxylic acid IV.A-3

3144. 27134-14-1 1 0 0 Fluoren-9-one, ethyl- III-13

3145. 27134-15-2 1 0 0 Fluoren-9-one, ethylmethyl- III-13

3146. 486-25-9 1 1 1 9H-Fluoren-9-one 1

2

3

45

6

7

8

O

9

III-13

3147. 27134-13-0 1 0 0 9H-Fluoren-9-one, dimethyl {5 isomers detected} III-13

3148. 1 0 0 9H-Fluoren-9-one, methyl- {2 isomers detected} III-13

3149. 5501-37-1 1 0 0 9H-Fluoren-9-one, 1-methyl- III-13




3153. 16984-48-8 1 0 0 Fluoride F-1 XVIII.B-3, XX-5

3154. 7782-41-4 1 1 1 Fluorine F2 XVIII.B-3, XX-5

3155. 50-00-0 1 1 1 Formaldehyde H-CH=O III-12

3156. 75-12-7 1 0 0 Formamide H-CO-NH2 XIII-1

3157. 871-71-6 1 0 0 Formamide, N-butyl- H-CO-NH-(CH2)3-CH3 XIII-1

3158. 68-12-2 1 1 1 Formamide, N,N-dimethyl- H-CO-N=(CH3)2 XIII-1

3159. 72693-10-8 1 0 0 Formamide, N-(2-furanylmethyl)- X-2, XIII-1

3160. 123-39-7 1 0 0 Formamide, N-methyl- H-CO-NH-CH3 XIII-1

3161. 10285-87-7 1 0 0 Formamide, N-(3-methylbutyl)- XIII-1

3162. 2591-79-9 1 0 0 Formamide, N-pentyl- H-CO-NH-(CH2)4-CH3 XIII-1

3163. 103-70-8 1 0 0 Formamide, N-phenyl- XIII-1

3164. 6343-54-0 1 0 0 Formamide, N-(phenylmethyl)- XIII-1

3165. 56625-04-8 1 0 0 Formamide, N-(3-pyridinylmethyl)- XIII-3, XVII.B-2

3166. 1 0 0 Formate XX-6

3167. 64-18-6 1 1 1 Formic acid H-COOH IV.A-3

3168. 105-86-2 0 1 0 Formic acid, 3,7-dimethyl-2,6-octadien-1-yl ester V-3

3169. 109-94-4 1 0 0 Formic acid, ethyl ester H-COO-CH2-CH3 V-3

3170. 33467-73-1 0 1 0 Formic acid, 3-hexenyl ester V-3

3171. 629-33-4 0 1 0 Formic acid, hexyl ester H-COO-(CH2)5-CH3 V-3

3172. 107-31-3 1 1 1 Formic acid, methyl ester {methyl formate} H-COO-CH3 V-3

3173. 0 1 0 Formic acid, 3-methylbutyl ester V-3

3174. 625-55-8 1 0 0 Formic acid, 1-methylethyl ester H-COO-CH=(CH3)2 V-3

3175. 638-49-3 0 1 0 Formic acid, pentyl ester H-COO-(CH2)4-CH3 V-3

3176. 104-62-1 0 1 0 Formic acid, 2-phenylethyl ester H-COO-(CH2)2-C6H5 V-3

3177. 104-57-4 0 1 0 Formic acid, phenylmethyl ester {benzyl formate} H-COO-CH2-C6H5 V-3

124


CAS No.

S

T

S

T


Selected structures

Chapter

Table

3178. 1 0 0 Formyl radical HC(O)O XXVII-1

3179. 9037-90-5 0 1 0 D-Fructan II.A-5, VIII-3

3180. 10247-46-8 0 1 0 D-Fructofuranose II.A-5, VIII-3

3181. 71385-82-5 0 1 0 β-D-Fructofuranose, 1-deoxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-, (S)-

II.A-5, VIII-3, XVII.B-4

3182. 79082-92-1 0 1 0 β-D-Fructofuranose, 2,6-bis(dihydrogen phosphate) II.A-5, VIII-3

3183. 9001-57-4 0 1 0 β-Fructofuranosidase XXII-2

3184. 79886-47-8 0 1 0 β-D-Fructopyranose, 1-deoxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-, (S)-

VIII-3, XVII.B-4

3185. 57-48-7 1 1 1 D-Fructose {levulose}

O

OH

OHCH2OH

OH

OH

II.A-5, VIII-3, X-2

3186. 51767-72-7 0 1 0 D-Fructose, labeled with 13

C, labeled with 13

C {D-Fructose-

13C}

II.A-5, VIII-3, X-2

3187. 29118-61-4 0 1 0 D-Fructose, 1-(2-carboxy-1-pyrrolidinyl)-1-deoxy-, (S)-

II.A-5, VIII-3, XVII.A-4

3188. 488-69-7 0 1 0 D-Fructose, 1,6-bis(dihydrogen phosphate) II.A-5, VIII-3

3189. 70954-04-0 0 1 0 D-Fructose, 1-[(1-carboxy-2-hydroxypropyl)amino]-1-deoxy-, [R-(R*,S*)]-

VIII-3

3190. 34393-27-6 0 1 0 D-Fructose, 1-[(3-amino-1-carboxy-3-oxopropyl)amino]-1-deoxy-, (S)-

VIII-3

3191. 10003-63-1 0 1 0 D-Fructose, 1-[(3-carboxypropyl)amino]-1-deoxy- VIII-3

3192. 70906-15-9 0 1 0 D-Fructose, 1-deoxy-1-[2-(3-pyridinyl)-1-pyrrolidinyl]-, (S)-

II.A-5, VIII-3, XVII.B-4

3193. 643-13-0 0 1 0 D-Fructose, 6-(dihydrogen phosphate) VIII-3

3194. 36119-15-0 0 1 0 D-Fructose, mono(dihydrogen phosphate) VIII-3

3195. 0 1 0 Fructosidase XXII-2

3196. 9033-47-0 0 1 0 β-Fructosidase XXII-2

3197. 2438-80-4 0 1 0 Fucose VIII-3

3198. 110-00-9 1 0 0 Furan

O

X-2

3199. 0 1 0 Furan, C3-alkyl- {3 isomers detected} X-2

3200. 64079-00-1 0 1 0 Furan, butyl- X-2

3201. 0 1 0 Furan, 2,3-diacetyl-5-methyl- CO-CH3

CO-CH3

2

34

H3CO

X-2

3202. 28802-49-5 1 0 0 Furan, dimethyl- X-2

3203. 27252-25-1 0 1 0 Furan, ethyl- X-2

3204. 1 0 0 Furan, ethenyl-methyl- X-2

3205. 1 0 0 Furan, hexenyl-methyl- X-2

3206. 27137-41-3 1 0 0 Furan, methyl- X-2

3207. 64079-01-2 0 1 0 Furan, pentyl- X-2

125


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3208. 27252-26-2 0 1 0 Furan, propyl- X-2

3209. 109-99-9 1 1 1 Furan, tetrahydro- X-2

3210. 0 1 0 Furan, tetrahydro-2-methyl-2-(4-hydroxy-1-pentenyl)-

O

OH

CH3

II.A-5, X-2

3211. 0 1 0 Furan, tetrahydro-2-(3-phenylpropyl)- X-2

3212. 13678-51-8 1 0 0 Furan, 2-(2-furanylmethyl)-5-methyl- X-2

3213. 10504-11-7 1 0 0 Furan, 2-(2-methyl-1-propenyl)- X-2

3214. 4868-20-6 1 0 0 Furan, 2-(3-hexenyl)-5-methyl-, (Z)- X-2

3215. 1197-40-6 1 0 0 Furan, 2,2'-methylenebis- X-2

3216. 110484-93-0 1 0 0 Furan, 2,2'-methylenebis[5-ethyl- X-2

3217. 13679-43-1 1 0 0 Furan, 2,2'-methylenebis[5-methyl- X-2

3218. 121213-25-0 1 0 0 Furan, 2,3-dihydro-2-methoxy- X-2

3219. 34314-83-5 1 0 0 Furan, 2,3-dihydro-4-methyl- X-2

3220. 14920-89-9 1 0 0 Furan, 2,3-dimethyl- X-2

3221. 1708-29-8 1 0 0 Furan, 2,5-dihydro- X-2

3222. 13314-90-4 1 0 0 Furan, 2,5-dihydro-2,5-bis(methylene)- X-2

3223. 13436-43-6 1 0 0 Furan, 2,5-dihydro-2-methoxy- X-2

3224. 1708-30-1 1 0 0 Furan, 2,5-dihydro-2-methyl- X-2

3225. 0 1 0 Furan, 2,5-diethyl- X-2

3226. 625-86-5 1 1 1 Furan, 2,5-dimethyl- X-2

3227. 110484-94-1 1 0 0 Furan, 2-[1-(5-ethyl-2-furanyl)ethyl]-5-methyl- X-2

3228. 4466-24-4 1 1 1 Furan, 2-butyl- X-2

3229. 1487-18-9 1 1 1 Furan, 2-ethenyl- X-2

3230. 1 0 0 Furan, 2-ethenyl-5-methyl- X-2

3231. 13679-86-2 0 1 0 Furan, 2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)-

X-2

3232. 3208-16-0 1 1 1 Furan, 2-ethyl- X-2

3233. 1703-52-2 1 0 0 Furan, 2-ethyl-5-methyl- X-2

3234. 534-22-5 1 1 1 Furan, 2-methyl- X-2

3235. 0 1 0 Furan, 2-methyl-5 (1-methylethenyl)- X-2

3236. 96-47-9 1 0 0 Furan, 2-methyltetrahydro- X-2

3237. 3777-69-3 0 1 0 Furan, 2-pentyl- X-2

3238. 17113-33-6 1 0 0 Furan, 2-phenyl- X-2

3239. 55484-04-3 1 0 0 Furan, 2-(4-pyridyl)- X-2, XVII.B-2

3240. 42933-00-6

54869-11-3

1 1 1 Furan, 3-(4,8,12-trimethyltridecyl)- {phytofuran} X-2

3241. 930-27-8 1 1 1 Furan, 3-methyl- X-2

3242. 13679-41-9 0 1 0 Furan, 3-phenyl- X-2

3243. 2745-26-8 1 0 0 2-Furanacetic acid IV.A-3, X-2

3244. 617-90-3 1 0 0 2-Furancarbonitrile X-2, XI-2

3245. 13714-86-8 1 0 0 2-Furancarbonitrile, 5-methyl- X-2, XI-2

126


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3246. 39276-09-0 1 0 0 Furancarboxaldehyde III-12 X-2

3247. 98-01-1 1 1 1 2-Furancarboxaldehyde {furfural; 2-furaldehyde}

OCHO

34

5

III-12 X-2

3248. 1 0 0 2-Furancarboxaldehyde, hydroxy- II.A-5, III-12, X-2

3249. 25376-49-2 0 1 0 2-Furancarboxaldehyde, (hydroxymethyl)- II.A-5, III-12, X-2

3250. 26895-04-5 1 0 0 2-Furancarboxaldehyde, methyl- III-12, X-2

3251. 33342-48-2 1 0 0 2-Furancarboxaldehyde, 3-methyl- III-12, X-2

3252. 32529-53-6 1 1 1 2-Furancarboxaldehyde, 5-acetyl- III-12, X-2

3253. 10551-58-3 0 1 0 2-Furancarboxaldehyde, 5-[(acetyloxy)methyl]- III-12, V-3, X-2

3254. 67-47-0 1 1 1 2-Furancarboxaldehyde, 5-(hydroxymethyl)- II.A-5, III-12, X-2

3255. 21300-07-2 0 1 0 2-Furancarboxaldehyde, 5-methoxy- III-12 X-2

3256. 0 1 0 2-Furancarboxaldehyde, 5-methoxy-?-methyl- III-12 X-2

3257. 1917-64-2 0 1 0 2-Furancarboxaldehyde, 5-(methoxymethyl)- III-12 X-2

3258. 620-02-0 1 1 1 2-Furancarboxaldehyde, 5-methyl- III-12, X-2

3259. 498-60-2 1 1 1 3-Furancarboxaldehyde III-12, X-2

3260. 29988-76-9 1 1 1 Furancarboxamide X-2, XIII-1

3261. 609-38-1 1 1 1 2-Furancarboxamide X-2, XIII-1

3262. 26447-28-9 1 1 1 Furancarboxylic acid IV.A-4, X-2

3263. 88-14-2 1 1 1 2-Furancarboxylic acid {furoic acid} IV.A-4, X-2

3264. 61892-61-3 1 0 0 2-Furancarboxylic acid, 2-(acetyloxy)ethyl ester V-3, X-2

3265. 614-99-3 0 1 0 2-Furancarboxylic acid, ethyl ester {ethyl 2-furoate}

V-3, X-2

3266. 71278-16-5 0 1 0 2-Furancarboxylic acid, 3-hydroxy- II.A-5, IV.A-3, X-2

3267. 6338-41-6 1 0 0 2-Furancarboxylic acid, 5-(hydroxymethyl)- II.A-5, IV.A-3, X-2

3268. 1917-15-3 1 0 0 2-Furancarboxylic acid, 5-methyl- IV.A-4, X-2

3269. 611-13-2 1 1 1 2-Furancarboxylic acid, methyl ester {methyl 2-furoate}

V-3, X-2

3270. 3885-29-8 1 0 0 2-Furancarboxylic acid, tetrahydro-5-oxo-, methyl ester

V-3, VI-3, X-2

3271. 488-93-7 1 0 0 3-Furancarboxylic acid IV.A-4, X-2


3273. 636-44-2 1 0 0 3-Furancarboxylic acid, 2,5-dimethyl- IV.A-4, X-2



3276. 13129-23-2 0 1 0 3-Furancarboxylic acid, methyl ester V-3, X-2

3277. 5204-91-1 1 0 0 3-Furancarboxylic acid, tetrahydro-5-oxo-, methyl ester

V-3, VI-3, X-2

3278. 823-82-5 1 1 1 2,5-Furandicarboxaldehyde III-12, X-2

3279. 61892-94-2 1 0 0 3,4-Furandiol, tetrahydro-3-methyl- X-2

3280. 108-31-6 1 1 1 2,5-Furandione {maleic anhydride}

O oO1

2

3 4

5

VII-1

3281. 33765-37-6 0 1 0 2,5-Furandione, 3,4-diethyldihydro-, (E)- VII-1

127


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Table

3282. 108-30-5 1 1 1 2,5-Furandione, dihydro- {succinic anhydride} VII-1

3283. 17347-61-4 1 1 1 2,5-Furandione, dihydro-3,3-dimethyl- VII-1

3284. 7475-92-5 1 1 1 2,5-Furandione, dihydro-3,4-dimethyl- {pyrocinchonic anhydride}

VII-1

3285. 4100-80-5 1 0 0 2,5-Furandione, dihydro-3-methyl- VII-1

3286. 766-39-2 1 1 1 2,5-Furandione, 3,4-dimethyl- VII-1

3287. 3552-33-8 1 1 1 2,5-Furandione, 3-ethyl-4-methyl- VII-1

3288. 616-02-4 1 0 0 2,5-Furandione, 3-methyl- VII-1

3289. 72693-16-4 1 0 0 2,5-Furandione, 3-methyl-4-(phenylmethyl)- VII-1

3290. 16493-20-2 1 0 0 2,5-Furandione, 3-methyl-4-propyl- VII-1

3291. 61679-89-8 1 0 0 2,5-Furandione, 3-propyl- VII-1

3292. 98-02-2 0 1 0 2-Furanmethanethiol X-2, XVIII.A-1

3293. 40795-25-3 1 0 0 Furanmethanol II.A-5, X-2

3294. 98-00-0 1 1 1 2-Furanmethanol {furfuryl alcohol}

OCH2OH1

2

34

5

II.A-5, X-2

3295. 623-17-6 1 1 1 2-Furanmethanol, acetate V-3, X-2

3296. 1 0 0 2-Furanmethanol, 2,3-dihydro-5-methoxy- II.A-5, X-2

3297. 60047-17-8 0 1 0 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-

II.A-5, X-2

3298. 5989-33-3 0 1 0 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-, (Z)- {cis-linalool oxide}

II.A-5, X-2

3299. 23007-29-6 0 1 0 2-Furanmethanol, 5-ethenyltetrahydro-α,α,5-trimethyl-, (E)- {trans-linalool oxide}

II.A-5, X-2

3300. 13493-97-5 0 1 0 2-Furanmethanol, formate V-3, X-2

3301. 55664-77-2 0 1 0 2-Furanmethanol, methyl- II.A-5, X-2

3302. 3857-25-8 1 1 1 2-Furanmethanol, 5-methyl- II.A-5, X-2

3303. 54774-28-6 0 1 0 2-Furanmethanol, 5-methyltetrahydro- II.A-5, X-2

3304. 61481-02-5 1 0 0 2-Furanmethanol, 5-(1-pyrrolidinylmethyl)- II.A-5, X-2, XVII.A-4

3305. 97-99-4 1 1 1 2-Furanmethanol, tetrahydro- II.A-5, X-2

3306. 4412-91-3 1 0 0 3-Furanmethanol II.A-5, X-2

3307. 29848-46-2 1 0 0 3-Furanol, tetrahydro-5,5-dimethyl- II.A-5, X-2

3308. 66607-70-3 0 1 0 3-Furanol, tetrahydro-5-[6-hydroxy-3-(1-methylethyl)-1-heptenyl]-5-methyl-

O

CH3OH

CH3

H3C CH3

OH

II.A-5, X-2

3309. 20825-71-2 1 1 1 2(3H)-Furanone {butenolide}

O

O1

3

5

4

VI-3

3310. 1 0 0 2(3H)-Furanone, acetyl- III-13, VI-3

3311. 517-23-7 1 0 0 2(3H)-Furanone, 3-acetyldihydro- III-13, VI-3



128


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Table

3314. 19405-99-3 1 0 0 2(3H)-Furanone, 3-(acetyloxy)dihydro- V-3, VI-3



3317. 61892-43-1 1 0 0 2(3H)-Furanone, 3-(acetyloxy)dihydro-4-hydroxy- II.A-5, V-3, VI-3

3318. 61892-44-2 1 0 0 2(3H)-Furanone, 5-(acetyloxy)dihydro-4-hydroxy- II.A-5, V-3, VI-3

3319. 160115-54-8 0 1 0 2(3H)-Furanone, 3-(acetyloxy)dihydro-5-methyl-5-[3-(1-methylethyl)-6-oxo-1-heptenyl]-, [3R-

[3α,5β(1E,3S*)]]-

III-13, V-3, VI-3

3320. 160224-93-1 0 1 0 2(3H)-Furanone, 3-(acetyloxy)dihydro-5-methyl-5-[3-(1-methylethyl)-6-oxo-1-heptenyl]-, [3R-

[3α,5α(1E,3S*)]]-

III-13, V-3, VI-3

3321. 1192-20-7 1 0 0 2(3H)-Furanone, 3-aminodihydro- VI-3, XII-2

3322. 0 1 0 2(3H)-Furanone, 3-(3-butenyl)-dihydro- VI-3

3323. 104-50-7 0 1 0 2(3H)-Furanone, 5-butyldihydro- {γ-octalactone} VI-3

3324. 0 1 0 2(3H)-Furanone, 5-butyldihydro-4-methyl- VI-3

3325. 96-48-0 1 1 1 2(3H)-Furanone, dihydro- {butyrolactone} VI-3

3326. 13092-55-2 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy- II.A-5, VI-3

3327. 17675-99-9 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-, (Z)- II.A-5, VI-3

3328. 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-5-(hydroxymethyl)-

II.A-5, VI-3

3329. 61892-57-7 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-5-(hydroxymethyl)-4-methyl-

II.A-5, VI-3

3330. 18465-71-9 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-3-methyl-, (3R-Z)-

II.A-5, VI-3

3331. 1 0 0 2(3H)-Furanone, dihydro-3,4-dihydroxy-4-methyl- II.A-5, VI-3

3332. 72693-07-3 1 0 0 2(3H)-Furanone, dihydro-3,4-dimethyl- VI-3





3337. 38273-97-1 0 1 0 2(3H)-Furanone, dihydro-3,3-dimethyl-5-(2-oxopropyl)-

VI-3

3338. 0 1 0 2(3H)-Furanone, dihydro-5-(1,4-dimethyl-1-pentenyl)-

VI-3

3339. 1073-11-6 0 1 0 2(3H)-Furanone, dihydro-5-ethenyl-5-methyl- VI-3

3340. 16496-51-8 0 1 0 2(3H)-Furanone, dihydro-4-ethyl- VI-3

3341. 695-06-7 1 1 1 2(3H)-Furanone, dihydro-5-ethyl- {γ-hexalactone} VI-3

3342. 2610-98-2 0 1 0 2(3H)-Furanone, dihydro-5-ethyl-3-methyl- VI-3

3343. 2865-82-9 0 1 0 2(3H)-Furanone, dihydro-5-ethyl-5-methyl- VI-3

3344. 158815-74-8 0 1 0 2(3H)-Furanone, dihydro-5-(3-ethyl-4-methyl-1-pentenyl)-3-hydroxy-5-methyl-

VI-3

3345. 61892-46-4 1 0 0 2(3H)-Furanone, dihydro-4-ethynyl-5-hydroxy-3-methyl-

VI-3

3346. 0 1 0 2(3H)-Furanone, dihydro-5-(5-heptenyl)- VI-3

129


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Table

3347. 104-67-6 0 1 0 2(3H)-Furanone, dihydro-5-heptyl-

{γ-undecalactone}

VI-3

3348. 706-14-9 0 1 0 2(3H)-Furanone, dihydro-5-hexyl-

{γ-decalactone}

VI-3

3349. 1 0 0 2(3H)-Furanone, dihydro(hydroxy)- II.A-5, VI-3

3350. 1 0 0 2(3H)-Furanone, dihydro(hydroxymethyl)- II.A-5, VI-3

3351. 18132-98-4 1 0 0 2(3H)-Furanone, dihydro-3-(hydroxymethyl)- II.A-5, VI-3

3352. 1608-63-5 0 1 0 2(3H)-Furanone, dihydro-3-(1-methylethyl)- VI-3

3353. 60016-73-1 1 1 1 2(3H)-Furanone, dihydro-(2-oxopropyl)- III-13, VI-3

3354. 25600-22-0 1 0 0 2(3H)-Furanone, dihydro-3-(1-oxopropoxy)-

O

OOC-CH2CH3

O12

34

5

V-3, VI-3

3355. 71385-84-7 1 1 1 2(3H)-Furanone, dihydro-3-(2-oxopropyl)- III-13, VI-3



3358. 53155-68-3 0 1 0 2(3H)-Furanone, dihydro-3,4,5-trimethyl-,

(3α,4α,5α)-

VI-3

3359. 19444-84-9 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy- II.A-5, VI-3

3360. 19444-86-1 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-3-(hydroxymethyl)-

II.A-5, VI-3

3361. 1192-42-3 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-3-methyl- II.A-5, VI-3

3362. 6969-43-3 0 1 0 2(3H)-Furanone, dihydro-3-hydroxy-4,4,5-trimethyl- II.A-5, VI-3

3363. 52126-90-6 1 1 1 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl- II.A-5, VI-3

3364. 599-04-2 1 1 1 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (R)-

II.A-5, VI-3

3365. 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-5-(1-hydroxyethyl)-

II.A-5, VI-3

3366. 61892-52-2 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-5-(2-hydroxyethyl)-

II.A-5, VI-3

3367. 61892-50-0 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-5-(2-hydroxyethyl)-5-methyl-

II.A-5, VI-3

3368. 53561-62-9 1 0 0 2(3H)-Furanone, dihydro-3-hydroxy-5-methyl- {2 isomers}

II.A-5, VI-3

3369. 158815-71-5 0 1 0 2(3H)-Furanone, dihydro-3-hydroxy-5-methyl-5-[3-(1-methylethyl)-6-oxo-1-heptenyl]-, [3R-

[3α,5β(1E,3S*)]]-

II.A-5, III-13, VI-3


3371. 3285-47-0 1 0 0 2(3H)-Furanone, dihydro-4-hydroxy-3,3-dimethyl- II.A-5, VI-3

3372. 61892-45-3 1 0 0 2(3H)-Furanone, dihydro-4-hydroxy-3-(hydroxymethyl)-

II.A-5, VI-3



3375. 0 1 0 2(3H)-Furanone, dihydro-4-(2,5,6-trimethyl-5,6-epoxyoctanyl)-

VI-3, X-2


3377. 27610-27-1 1 1 1 2(3H)-Furanone, dihydro-5-(1-hydroxyethyl)- II.A-5, VI-3

130


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3380. 1679-47-6 0 1 0 2(3H)-Furanone, dihydro-3-methyl- VI-3

3381. 1679-49-8 1 1 1 2(3H)-Furanone, dihydro-4-methyl- VI-3

3382. 108-29-2 1 1 1 2(3H)-Furanone, dihydro-5-methyl-

{γ-valerolactone}

VI-3

3383. 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-(3-oxobutyl)- III-13, VI-3

3384. 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-(3-methyl-1-butenyl)-

VI-3

3385. 80797-69-9 0 1 0 2(3H)-Furanone, dihydro-5-(3-methyl-1-butenyl)- VI-3

3386. 2429-94-9 0 1 0 2(3H)-Furanone, dihydro-5-(3-methylbutyl)- VI-3



3389. 0 1 0 2(3H)-Furanone, dihydro-5-(1-methylethyl)-5-(3-methyl-1,2-butadienyl)-

VI-3

3390. 129742-48-9 0 1 0 2(3H)-Furanone, dihydro-5-(1-methylethyl)-5-(3-oxo-1-butenyl)-, (E)-(+)-

III-13, VI-3

3391. 2305-05-7 0 1 0 2(3H)-Furanone, dihydro-5-octyl- {γ-dodecalactone}

VI-3

3392. 76710-90-2 0 1 0 2(3H)-Furanone, dihydro-5-(2-pentenyl)-, (Z)- VI-3

3393. 104-61-0 0 1 0 2(3H)-Furanone, dihydro-5-pentyl-

{γ-nonalactone}

VI-3

3394. 105-21-5 1 1 1 2(3H)-Furanone, dihydro-5-propyl-

{γ-heptalactone}

VI-3

3395. 20971-79-3 1 0 0 2(3H)-Furanone, dihydro-5-(3-pyridinyl)- VI-3, XVII.B-2

3396. 61892-55-5 1 0 0 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-4-methyl-

II.A-5, VI-3

3397. 72507-34-7 0 1 0 2(3H)-Furanone, dihydro-5-[1-methyl-4-(1-methylethyl)-7-oxo-2-octenyl]-

III-13, VI-3

3398. 102734-52-1 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-, [5S-[5R*(1E,4R*,5E,7R*)]]-


O

CH3

H3C CH3

OH

CH3

O

CH3

O

3399. 102734-53-2 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-, [5S-[5R*(1E,4S*,5E,7R*)]]-


3400. 102734-54-3 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-, [5R-[5R*(1E,4S*,5E,7S*)]]-


3401. 102734-55-4 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-, [5R-[5R*(1E,4R*,5E,7S*)]]-


3402. 80744-25-8 0 1 0 2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-


131


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Chapter

Table

3403. 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-(5-methyl-2-furanyl)-

VI-3, X-2

3404. 60646-31-3 1 0 0 2(3H)-Furanone, dihydro-5-methyl-5-(1-methylethyl)-, (S)-

VI-3

3405. 57213-51-1 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-[3-(1-methylethyl)-6-oxo-1-heptenyl]-

III-13, VI-3

CH3

H3C

O

CH3H3C

OO

3406. 3284-93-3 0 1 0 2(3H)-Furanone, dihydro-5-methyl-5-propyl- VI-3

3407. 10008-73-8 1 0 0 2(3H)-Furanone, dihydro-5-methylene- VI-3

3408. 0 1 0 2(3H)-Furanone, dihydro-5-(1,1,3-trimethyl-2-butenyl)-

VI-3

3409. 64291-81-2 0 1 0 2(3H)-Furanone, dihydrodimethyl- VI-3

3410. 0 1 0 2(3H)-Furanone, 3,3-dimethyl- VI-3

3411. 1 1 1 2(3H)-Furanone, 3,4-dimethyl- VI-3

3412. 61892-58-8 1 0 0 2(3H)-Furanone, 3-(hydroxymethyl)-5-methyl- II.A-5, VI-3

3413. 591-12-8 1 1 1 2(3H)-Furanone, 5-methyl-

{4-hydroxy-3-pentenoic acid lactone; α-angelica lactone}

VI-3

3414. 497-23-4 1 1 1 2(5H)-Furanone {crotonolactone} O

O

1

5

43

VI-3

3415. 1 0 0 2(5H)-Furanone, acetyl- III-13, VI-3

3416. 80436-91-5 1 0 0 2(5H)-Furanone, 3-acetyl- III-13, VI-3



3419. 61892-42-0 1 0 0 2(5H)-Furanone, 3-acetyl-4-methyl- III-13, VI-3

3420. 1 0 0 2(5H)-Furanone, 5-butylidene- VI-3

3421. 14668-67-8 1 0 0 2(5H)-Furanone, 3,5-diethyl- VI-3

3422. 1 0 0 2(5H)-Furanone, 3,4-dihydroxy- VI-3

3423. 1575-46-8 1 0 0 2(5H)-Furanone, 3,4-dimethyl- VI-3




3427. 0 1 0 2(5H)-Furanone, 5,5-dimethyl-4-ethyl- VI-3

3428. 6067-11-4 0 1 0 2(5H)-Furanone, 3,4-dimethyl-5-hydroxy-5-pentyl-

OH

OO

II.A-5, VI-3

3429. 14300-74-4 1 0 0 2(5H)-Furanone, 3,4-dimethyl-5-methylene- VI-3

3430. 10547-84-9 1 1 1 2(5H)-Furanone, 3,4-dimethyl-5-pentyl- {dihydrobovolide}

OO

VI-3

132


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Table

3431. 774-64-1 1 1 1 2(5H)-Furanone, 3,4-dimethyl-5-pentylidene- {bovolide}

OO

VI-3

3432. 7935-59-1 0 1 0 2(5H)-Furanone, 3,4-dimethyl-5-pentylidene-, dihydro derivative

VI-3

3433. 66309-74-8 1 0 0 2(5H)-Furanone, 3,4-dimethyl-5-(1-propenyl)- VI-3

3434. 66309-75-9 1 0 0 2(5H)-Furanone, 5-ethenyl- VI-3

3435. 0 1 0 2(5H)-Furanone, 5-ethenyl-3-methyl- VI-3

3436. 0 1 0 2(5H)-Furanone, 4-ethyl- VI-3

3437. 2407-43-4 1 1 1 2(5H)-Furanone, 5-ethyl- VI-3

3438. 0 1 0 2(5H)-Furanone, 4-ethyl-5,5-dimethyl- VI-3

3439. 698-10-2 0 1 0 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl- VI-3

3440. 14668-66-7 1 0 0 2(5H)-Furanone, 3-ethyl-5-methyl- VI-3




3444. 6066-62-2 1 0 0 2(5H)-Furanone, 5-ethylidene-3,4-dimethyl- VI-3

3445. 71126-48-2 1 0 0 2(5H)-Furanone, 5-ethylidene-3-methyl-, (Z)- VI-3

3446. 28664-35-9 0 1 0 2(5H)-Furanone, 3-hydroxy-4,5-dimethyl- VI-3

3447. 1 0 0 2(5H)-Furanone, 3-hydroxy-5-(1-hydroxyethyl)- IVI-3

3448. 54621-96-4 1 0 0 2(5H)-Furanone, 5-(1-hydroxyethyl)-, [R-(R*,S*)]- II.A-5, VI-3

3449. 1 0 0 2(5H)-Furanone, 3-(hydroxymethyl)- VI-3

3450. 80904-75-2 1 0 0 2(5H)-Furanone, 4-(hydroxymethyl)- II.A-5, VI-3

3451. 22122-36-7 1 1 1 2(5H)-Furanone, 3-methyl- VI-3

3452. 6124-79-4 1 1 1 2(5H)-Furanone, 4-methyl- VI-3

3453. 591-11-7 1 1 1 2(5H)-Furanone, 5-methyl- {β-angelica lactone} VI-3

3454. 108-28-1 1 1 1 2(5H)-Furanone, 5-methylene- {protoanemonin} VI-3

3455. 7754-93-0 0 1 0 2(5H)-Furanone, 3-(1-methylethyl)- VI-3

3456. 10547-89-4 1 1 1 2(5H)-Furanone, 4-(1-methylethyl)- VI-3

3457. 61892-54-4 1 1 1 2(5H)-Furanone, 3-methyl-5-methylene- VI-3

3458. 0 1 0 2(5H)-Furanone, 5-methyl-5-(1-methylethyl)- VI-3

3459. 0 1 0 2(5H)-Furanone, 4-methyl-5-(3-oxobutyl) III-13, VI-3

3460. 0 1 0 2(5H)-Furanone, 5-methyl-4-(3-oxo-4-methylpentyl)- III-13, VI-3

3461. 0 1 0 2(5H)-Furanone, 4-(4-methyl-1-pentyl)- VI-3

3462. 77267-30-2 0 1 0 2(5H)-Furanone, 5-(2-pentenyl)-, (Z)- VI-3

3463. 1963-26-8

21963-26-8

0 1 0 2(5H)-Furanone, 5-pentyl- VI-3

3464. 33488-51-6 1 1 1 2(5H)-Furanone, 3,4,5-trimethyl- VI-3



3467. 3511-31-7 1 0 0 3(2H)-Furanone III-13, X-2

3468. 22929-52-8 1 0 0 3(2H)-Furanone, dihydro- III-13, X-2

133


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Table

3469. 1 0 0 3(2H)-Furanone, dihydro-2,5-dimethyl-, (E)- III-13, X-2

3470. 1 0 0 3(2H)-Furanone, dihydro-2,5-dimethyl-, (Z)- III-13, X-2

3471. 3188-00-9 1 1 1 3(2H)-Furanone, dihydro-2-methyl-

{2-methyltetrahydrofuran-3-one} OO

CH3

III-13, X-2

3472. 89364-27-2 1 0 0 3(2H)-Furanone, dihydro-4-methyl- III-13, X-2

3473. 0 1 0 3(2H)-Furanone, dihydro-5-methyl-5-propyl- III-13, X-2

3474. 14400-67-0 1 0 0 3(2H)-Furanone, 2,5-dimethyl- III-13, X-2

3475. 27538-09-6 0 1 0 3(2H)-Furanone, 3-ethyl-4-hydroxy-5-methyl- III-13, X-2

3476. 17678-20-5 1 0 0 3(2H)-Furanone, 4-hydroxy-2-(hydroxymethyl)-5-methyl-

II.A-5, III-13, X-2

3477. 3658-77-3 1 1 1 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl- {furaneol}

II.A-5, III-13, X-2

3478. 484-20-8 0 1 0 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy- X-2

3479. 0 1 0 Furo[3,2-b]furan, tetrahydro-2-acetyl-3a-methyl-5-(1-methylethyl)-

III-13, X-2

CO-CH3

O O

H3C

H3C

CH3

3480. 0 1 0 Furo[3,2-b]furan-2(3H)-methanol, tetrahydro-α,α,3a-trimethyl-5-(1-methylethyl)-

II.A-5, III-13, X-2

O O

OH

CH3

CH3

CH3

H3C

H3C

3481. 60026-27-9 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-

O O

CH3

O

VI-3, X-2

3482. 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5-(1-methylethenyl)-

O O

CH3

H3C

H2C

O

VI-3, X-2

3483. 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5-(1-methylethenyl)-

O O

CH3

H3C

H2C

O

VI-3, X-2

3484. 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5-(1-methylethyl)-

O O

H3C

H3C

CH3

O

VI-3, X-2

3485. 0 1 0 Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5-(1-methylethyl)-

O O

H3C

H3C

CH3

O

VI-3, X-2

3486. 61893-05-8 1 0 0 1H-Furo[2,3-d]imidazole, 2-methyl-

O

N

CH3

N

H

X-2, XVII.A-4

134


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Chapter

Table

3487. 72686-97-6 0 1 0 2H-Furo[3,2-c]isobenzofuran-8-methanol,

octahydro-2-methoxy-α,α,3a,5a-tetramethyl-,

(2α,3aα,5aβ,8β,9aS*)-

II.A-5, X-2

3488. 72747-21-8 0 1 0 2H-Furo[3,2-c]isobenzofuran-8-methanol,

octahydro-2-methoxy-α,α,3a,5a-tetramethyl-, [2R-

(2α,3aβ,5aα,8α,9aR*)]-

II.A-5, X-2

3489. 37209-50-0 0 1 0 3aH-Furo[3,2-c]isobenzofuran-8-methanol,

5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-,

acetate, [3aR-(3aα,5aβ,8β,9aR*)]-

II.A-5, X-2

3490. 56857-64-8 0 1 0 3aH-Furo[3,2-c]isobenzofuran-8-methanol,

5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-,

[3aR-(3aα,5aβ,8β,9aR*)]-

II.A-5, X-2

3491. 7440-54-2 1 1 1 Gadolinium Gd XX-5

3492. 9037-55-2 1 1 1 D-Galactan VIII-3

3493. 526-99-8 0 1 0 Galactaric acid HOOC-(CHOH)4-COOH IV.A-3

3494. 0 1 0 Galactitol, 2,3-di-O-methyl- HOH2C-[CH(OCH3]2-(CHOH)2-CH2OH

II.A-5

3495. 0 1 0 Galactitol, 2,4-di-O-methyl- II.A-5

3496. 0 1 0 Galactitol, 2,6-di-O-methyl- HOH2C-CH(OCH3)-(CHOH)3-CH2OCH3

II.A-5

3497. 0 1 0 Galactitol, 2-O-methyl- II.A-5, X-2

3498. 0 1 0 Galactitol, 3-O-methyl- II.A-5, X-2

3499. 0 1 0 Galactitol, 2,3,4,6-tetra-O-methyl- II.A-5, X-2

3500. 0 1 0 Galactitol, 2,3,4-tri-O-methyl- II.A-5, X-2



3503. 9036-66-2 1 1 1 D-Galacto-L-arabinan II.A-5, X-2

3504. 33818-21-2 1 0 0 α-D-Galactofuranose, 1,6-anhydro- II.A-5, X-2

3505. 9040-29-3 0 1 0 D-Galacto-D-gluco-D-mannan II.A-5, X-2

3506. 644-76-8 1 0 0 β-D-Galactopyranose, 1,6-anhydro- II.A-5, X-2

3507. 26656-33-7 0 1 0 D-Galactopyranuronic acid, homopolymer II.A-5, X-2

3508. 1948-54-5 0 1 0 Galactose, 2-amino-2-deoxy- II.A-5, X-2, XII-2

3509. 35381-83-0 0 1 0 Galactose, diether with 1,2,3-propanetriol (1:2) II.A-5, X-2

3510. 59-23-4 1 1 1 D-Galactose II.A-5, X-2

3511. 7535-00-4 0 1 0 D-Galactose, 2-amino-2-deoxy- {galactosamine}

II.A-5, X-2, XII-2

3512. 1949-89-9 0 1 0 D-Galactose, 2-deoxy- II.A-5, X-2

3513. 9001-34-7 0 1 0 Galactosidase XXII-2

3514. 97234-09-8 0 1 0 D-Galactoside, [(1-oxohexadecatrienyl)oxy][(1-oxooctadecatrienyl)oxy]propyl, (all-Z)-

II.A-5, X-2

3515. 97234-10-1 0 1 0 D-Galactoside, [(1-oxohexadecyl)oxy][(1-oxooctadecatrienyl)oxy]propyl, (Z,Z,Z)-

II.A-5, X-2

3516. 97276-55-6 0 1 0 D-Galactoside, [(1-oxooctadecadienyl)oxy][(1-oxooctadecatrienyl)oxy]propyl, (all-Z)-

II.A-5, X-2

135


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Chapter

Table

3517. 97232-94-5 0 1 0 D-Galactoside, 2,3-bis[(1-oxooctadecadienyl)oxy]propyl O-D-galactosyl-, (all-Z)-

II.A-5, X-2

3518. 97170-15-5 0 1 0 D-Galactoside, 2,3-bis[(1-oxooctadecadienyl)oxy]propyl, (all-Z)-

II.A-5, X-2

3519. 97233-43-7 0 1 0 D-Galactoside, 2,3-bis[(1-oxooctadecatrienyl)oxy]propyl O-D-galactosyl-, (all-Z)-

II.A-5, X-2

3520. 97170-14-4 0 1 0 D-Galactoside, 2,3-bis[(1-oxooctadecatrienyl)oxy]propyl, (all-Z)-

II.A-5, X-2

3521. 97275-71-3 0 1 0 D-Galactoside, 2,3-dihydroxypropyl, 2'(or 3')-hexadecanoate 3' (or 2')-octadecadienoate, (Z,Z)-

II.A-5, X-2

3522. 14982-50-4 0 1 0 Galacturonic acid

O

COOH

OH

OH

HO

OH

II.A-5, IV.A-3, X-2

3523. 25990-10-7 0 1 0 Galacturonic acid, homopolymer II.A-5, IV.A-3, X-2

3524. 685-73-4 1 1 1 D-Galacturonic acid II.A-5, IV.A-3, X-2

3525. 34150-36-2 0 1 0 D-Galacturonic acid, anhydro- II.A-5, IV.A-3, X-2

3526. 25249-06-3 0 1 0 D-Galacturonic acid, homopolymer II.A-5, IV.A-3, X-2

3527. 7440-55-3 1 1 1 Gallium XX-5

3528. 152347-17-6 0 1 0 GenBank D16204 XXII-2

3529. 152347-18-7 0 1 0 GenBank D16205 XXII-2

3530. 152347-16-5 0 1 0 GenBank D16206 XXII-2

3531. 143787-54-6 0 1 0 GenBank L02124 XXII-2

3532. 150472-46-1 0 1 0 GenBank L13439 XXII-2

3533. 150472-47-2 0 1 0 GenBank L13440 XXII-2

3534. 150472-48-3 0 1 0 GenBank L13441 XXII-2

3535. 150472-49-4 0 1 0 GenBank L13442 XXII-2

3536. 150472-50-7 0 1 0 GenBank L13443 XXII-2

3537. 149241-78-1 0 1 0 GenBank L14953 XXII-2

3538. 0 1 0 GenBank M73791 XXII-2

3539. 144680-39-7 0 1 0 GenBank M74102 XXII-2

3540. 144680-37-5 0 1 0 GenBank M74103 XXII-2

3541. 142693-30-9 0 1 0 GenBank M84650 XXII-2

3542. 145767-36-8 0 1 0 GenBank M87838 XXII-2

3543. 145767-40-4 0 1 0 GenBank M87839 XXII-2

3544. 141683-31-0 0 1 0 GenBank M94135 XXII-2

3545. 0 1 0 GenBank X58527 XXII-2

3546. 139854-77-6 0 1 0 GenBank X60057 XXII-2

3547. 140352-16-5 0 1 0 GenBank X61113 XXII-2

3548. 140352-17-6 0 1 0 GenBank X61114 XXII-2

3549. 139857-64-0 0 1 0 GenBank X61750 XXII-2

3550. 0 1 0 GenBank X61826 XXII-2

136


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3551. 140360-05-0 0 1 0 GenBank X62339 XXII-2

3552. 141005-27-8 0 1 0 GenBank X62368 XXII-2

3553. 140104-46-7 0 1 0 GenBank X62395 XXII-2

3554. 0 1 0 GenBank X62500 XXII-2

3555. 142965-21-7 0 1 0 GenBank X63078 XXII-2

3556. 145905-43-7 0 1 0 GenBank X63607 XXII-2

3557. 139867-08-6 0 1 0 GenBank X64398 XXII-2

3558. 139869-01-5 0 1 0 GenBank X64399 XXII-2

3559. 140830-68-8 0 1 0 GenBank X64423 XXII-2

3560. 0 1 0 GenBank X64621 XXII-2

3561. 141164-37-6 0 1 0 GenBank X65117 XXII-2

3562. 141164-36-5 0 1 0 GenBank X65118 XXII-2

3563. 147904-32-3 0 1 0 GenBank X65982 XXII-2

3564. 144031-18-5 0 1 0 GenBank X66145 XXII-2

3565. 143341-50-8 0 1 0 GenBank X67158 XXII-2

3566. 151468-68-7 0 1 0 GenBank X69971 XXII-2

3567. 148757-17-9 0 1 0 GenBank X71015 XXII-2

3568. 0 1 0 GenBank Z11803 XXII-2

3569. 142914-46-3 0 1 0 GenBank Z12619 XXII-2

3570. 142914-45-2 0 1 0 GenBank Z12623 XXII-2

3571. 152651-60-0 0 1 0 GenBank Z14079 XXII-2

3572. 152651-59-7 0 1 0 GenBank Z14080 XXII-2

3573. 152651-58-6 0 1 0 GenBank Z14081 XXII-2

3574. 152651-57-5 0 1 0 GenBank Z14082 XXII-2

3575. 152651-61-1 0 1 0 GenBank Z14085 XXII-2

3576. 148544-79-0 0 1 0 GenBank Z16403 XXII-2

3577. 148544-80-3 0 1 0 GenBank Z16404 XXII-2

3578. 554-91-6 0 1 0 Gentiobiose II.A-5, X-2

3579. 7440-56-4 1 1 1 Germanium Ge XX-5

3580. 19147-78-5 0 1 0 Gibbane-1,10-dicarboxylic acid, 2,3-epoxy-4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,

(1α,2β,3β,4aα,4bβ,10β)-

II.A-5, VI-3

3581. 545-97-1 0 1 0 Gibbane-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone,

(1α,2β,4aα,4bβ,10β)-

II.A-5, VI-3

3582. 468-44-0 0 1 0 Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-,1,4a-lactone,

(1α,2β,4aα,4bβ,10β)-.

II.A-5, VI-3 COOH

OH

OO

CH3

H2C

3583. 561-56-8 0 1 0 Gibb-2-ene-1,10-dicarboxylic acid, 4a,7-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,

(1α,4aα,4bβ,10β)-

II.A-5, VI-3

137


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Chapter

Table

3584. 77-06-5 0 1 0 Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone,

(1α,2β,4aα,4bβ,10β)- {gibberellic acid}

II.A-5, VI-3 O

HO OHO

COOH

3585. 125-67-7 0 1 0 Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, potassium salt

{gibberellic acid, potassium salt}

II.A-5, VI-3, XXI-3 O

HO OHO

COOH

3586. 510-75-8 0 1 0 Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,

(1α,2β,4aα,4bβ,10β)-

II.A-5, VI-3

3587. 9007-83-4 0 1 0 Globulins, γ- XXII-2

3588. 9037-91-6 0 1 0 Glucan II.A-5, VIII-3

3589. 9051-97-2 0 1 0 β-D-Glucan, (1→3)- II.A-5, VIII-3

3590. 9044-93-3 0 1 0 β-1,3-Glucanase XXII-2

3591. 128512-83-4 0 1 0 Glucanase, endo-1,3-β-(tobacco clone pGL31 isoenzyme)

XXII-2

3592. 128512-84-5 0 1 0 Glucanase, endo-1,3-β- (tobacco clone pGL36 isoenzyme)

XXII-2

3593. 128512-85-6 0 1 0 Glucanase, endo-1,3-β- (tobacco clone pGL43 isoenzyme)

XXII-2

3594. 128512-86-7 0 1 0 Glucanase, endo-1,3-β- (tobacco isoenzyme) XXII-2

3595. 62213-14-3 0 1 0 Glucanase, endo-1,3(4)-β- XXII-2

3596. 128475-00-3 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pBSGlu39.1 isoenzyme signal peptide)

XXII-2

3597. 128475-01-4 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pBSGlu39.1 isoenzyme signal peptide) 26-L-threonine-28-L-glutamic acid

XXII-2

3598. 128512-87-8 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pBSGlu39.1 isoenzyme protein moiety)

XXII-2

3599. 128512-88-9 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pBSGluc39.3 isoenzyme protein moiety)

XXII-2

3600. 128512-89-0 0 1 0 Glucanase, preproendo-1,3-β- (tobacco clone pGL31 isoenzyme protein moiety)

XXII-2


XXII-2


XXII-2

3603. 128512-92-5 0 1 0 Glucanase, preproendo-1,3-β- (tobacco isoenzyme protein moiety)

XXII-2

3604. 7425-74-3 1 1 1 β-D-Glucofuranose, 1,6-anhydro- II.A-5, X-2

3605. 66537-22-2 1 1 1 Glucometasaccharinic acid, γ-lactone II.A-5, VI-3, X-2

138


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Table

3606. 492-62-6 0 1 0 α-D-Glucopyranose

O

OH

OH

HO

OH

HOCH2

II.A-5, X-2

3607. 492-61-5 0 1 0 β-D-Glucopyranose II.A-5, X-2

3608. 0 1 0 α-D-Glucopyranose, 1-acetate 2,3,4,6-tetrakis((+)-3-methylbutanoate)

V-3

3609. 28977-67-5 1 1 1 β-D-Glucopyranose, 6-acetate 2,3,4-tris((+)-3-methylvalerate)

β-D-Glucopyranose, 6-acetate 2,3,4-tris((+)-3-methylpentanoate)

V-3

3610. 25545-13-5 0 1 0 D-Glucopyranose, 4-(4-hydroxybenzoate) V-3

3611. 23445-11-6 0 1 0 β-D-Glucopyranose, 1-(2,5-dihydroxybenzoate) V-3

3612. 41682-52-4 0 1 0 β-D-Glucopyranose, 1-(3-phenyl-2-propenoate) V-3

3613. 59-56-3 0 1 0 α-D-Glucopyranose, 1-(dihydrogen phosphate) V-3

3614. 498-07-7 1 1 1 β-D-Glucopyranose, 1,6-anhydro- {levoglucosan} OH

HO

O

HO

O

II.A-5, X-2

3615. 61891-55-2 1 0 0 β-D-Glucopyranose, 1,6-anhydro-, monoacetate V-3

3616. 10139-18-1 0 1 0 α-D-Glucopyranose, 1,6-bis(dihydrogen phosphate) V-3

3617. 21056-52-0 0 1 0 β-D-Glucopyranose, 1-benzoate V-3

3618. 33-99-3 0 1 0 β-D-Glucopyranose, 4-O-α-D-glucopyranosyl- II.A-5, X-2

3619. 4482-75-1 0 1 0 α-D-Glucopyranose, 4-O-α-D-glucopyranosyl- II.A-5, X-2

3620. 0 1 0 α-D-Glucopyranose, 1,2,3,4,5-penta((+)-3-methylbutanoate)

V-3

3621. 64461-84-3 0 1 0 β-D-Glucopyranose, 6-(3-phenyl-2-propenoate) V-3

3622. 0 1 0 α-D-Glucopyranose, 1,3,4,6-tetrakis((+)-3-methylbutanoate)

V-3

3623. 0 1 0 α-D-Glucopyranose, 2,3,4,5-tetrakis((+)-3-methylbutanoate)

V-3

3624. 0 1 0 β-D-Glucopyranose, 2,3,4,5-tetrakis((+)-3-methylbutanoate)

V-3

3625. 7724-09-6 0 1 0 β-D-Glucopyranoside, (2-hydroxyphenyl)methyl- II.A-5, IX.A-22, X-2

3626. 7073-61-2 1 1 1 β-D-Glucopyranoside, (3β)-cholest-5-en-3-yl- {cholesteryl glucoside}

II.A-5, X-2

3627. 1 1 1 β-D-Glucopyranoside, (3β)-ergost-5-en-3-yl- {campesteryl glucoside}

II.A-5, X-2

3628. 0 1 0 β-D-Glucopyranoside, 3-hexen-1-yl-

{3-hexen-1-yl glucoside; leaf acid glucoside}

II.A-5, X-2

3629. 474-58-8 1 1 1 β-D-Glucopyranoside, (3β)-stigmast-5-en-3-yl-

{β-sitosteryl glucoside}

II.A-5, X-2

O

O

OH

HO OH

HOCH2

H3C

H3CCH-CH2CH2-CH-CH=(CH3)2

CH3 C2H5

139


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Chapter

Table

3630. 19716-26-8 1 1 1 β-D-Glucopyranoside, (3β,22E)-stigmasta-5,22-dien-3-yl- {stigmasteryl glucoside}

II.A-5, X-2

O

O

OH

HO OH

HOCH2

H3C

H3CCH-CH=CH-CH-CH=(CH3)2

CH3 C2H5

3631. 51064-38-1 1 1 1 β-D-Glucopyranoside, (3β,24S)-stigmast-5-en-3-yl- {γ-sitosteryl glucoside}

II.A-5, X-2

O

O

OH

HO OH

HOCH2

H3C

H3CCH-CH2CH2-CH-CH=(CH 3)2

CH3

C2H5

3632. 57-50-1 1 1 1 α-D-Glucopyranoside, β-D-fructofuranosyl- {sucrose}

II.A-5, X-2

O

O O

OH

HOOH

HO

HO

CH2OH

HOH2C

HOH2C

3633. 126-14-7 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, octaacetate

V-3

3634. 470-55-3 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-D-

galactopyranosyl-(1→6)-O-α-D-galactopyranosyl-

(1→6)-

II.A-5, X-2


galactopyranosyl-(1→6)- {raffinose}

II.A-5, X-2


glucopyranosyl-(1→4)-

II.A-5, X-2

3637. 25954-44-3 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-O-β-D-


II.A-5, X-2

3638. 98913-58-7 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, 3-methylpentanoate

II.A-5, V-3, X-2

3639. 154063-13-5 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, 6-acetate 2,3,4-tris(2-methylbutanoate)

II.A-5, V-3, X-2

3640. 97614-61-4 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, 6-acetate 2,3,4-tris(3-methylpentanoate)

II.A-5, V-3, X-2

3641. 106033-38-9 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, 6-acetate 2,3,4-tris(3-methylpentanoate), [2(S),3(S),4(S)]-

II.A-5, V-3, X-2

3642. 41055-68-9 0 1 0 α-D-Glucopyranoside, β-D-fructofuranosyl-, labeled with

13C

II.A-5, X-2



II.A-5, X-2

3644. 88848-61-7 0 1 0 β-D-Glucopyranoside, 1,2,3,4,5,6,7,8-octahydro-3-hydroxy-1-methyl-7-(1-methylethenyl)-2-

naphthalenyl 2-O-β-D-glucopyranosyl-, [1S-

(1α,2β,3α,7β)]-

II.A-5, X-2

140


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Table

3645. 99499-89-5 0 1 0 β-D-Glucopyranoside, 1,2,3,4,5,6,7,8-octahydro-3-hydroxy-1-methyl-7-(1-methylethenyl)-2-

naphthalenyl O-6-deoxy-α-L-mannopyranosyl-

(1→4)-O-β-D-glucopyranosyl-(1→4)-, [1S-

(1α,2β,3α,7β)]-

II.A-5, X-2

3646. 138-52-3 0 1 0 β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl- II.A-5, X-2

3647. 136448-99-2 0 1 0 β-D-Glucopyranoside, 2-[5-(acetyloxy)-1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-2-naphthalenyl]-2-hydroxypropyl-, 2,3,4,6-

tetraacetate, [2R-[2α(S*),5α,8β,8aα]]-

II.A-5, V-3, X-2

3648. 75039-16-6 0 1 0 β-D-Glucopyranoside, 2-methyl-4-(1H-purin-6-ylamino)-2-butenyl-, mono(dihydrogen phosphate) (ester), (E)-

II.A-5, V-3, X-2

3649. 62512-96-3 0 1 0 β-D-Glucopyranoside, 2-methyl-4-(1H-purin-6-ylamino)butyl-

II.A-5, X-2, XII-2

3650. 78081-83-1 0 1 0 β-D-Glucopyranoside, 3-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-1-methyl-2-propenyl-

II.A-5, X-2

3651. 63648-83-9 0 1 0 α-D-Glucopyranoside, 3-O-acetyl-β-D-fructofuranosyl-

II.A-5, X-2

3652. 470-57-5 0 1 0 α-D-Glucopyranoside, O-α-D-galactopyranosyl-

(1→6)-β-D-fructofuranosyl- {theanderose}

II.A-5, X-2

3653. 1464-44-4 0 1 0 β-D-Glucopyranoside, phenyl- II.A-5, X-2

3654. 1405-86-3 0 1 0 2-O-β-D-Glucopyranuronysyl-α-D-

glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-

{glycyrrhizic acid; glycyrrhizin}

II.A-5, III-13, IV.A-3, X-2

O

OH

COOH

O

O

H3C CH3

CH3

H3C CH3

CH3

O

HO

OH OH

HOOC

HO

H3C COOH

O

3655. 53596-04-0 0 1 0 2-O-β-D-Glucopyranuronysyl-α-D-

glucopyranosiduronic acid, ammoniated (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-, ammoniated

{glycyrrhizic acid ammoniated; glycyrrhizin ammoniated}

X-2

3656. 50-99-7

26655-34-5

1 1 1 α-D-Glucose II.A-5, X-2

3657. 0 1 0 Glucose, labeled with 13

C {Glucose-13

C} VIII-3

3658. 0 1 0 α-D-Glucose, labeled with 14

C { α-D-Glucose-14

C} XXV-29

3659. 154-17-6 0 1 0 D-Glucose, 2-deoxy- II.A-5, X-2

3660. 3416-24-8 0 1 0 D-Glucose, 2-deoxy-, 2-amino- {glucosamine} II.A-5, X-2, XII-2

3661. 1398-61-4 0 1 0 D-Glucose, β-(1,4)-2-acetamido-2-deoxy- II.A-5, X-2, XIII-1

3662. 28905-12-6 1 1 1 β-D-Glucose II.A-5, X-2

3663. 9001-22-3 0 1 0 Glucosidase, β- XXII-2

3664. 9001-42-7 0 1 0 Glucosidase, α- XXII-2

3665. 9012-47-9 0 1 0 Glucosidase, amylo-1,6- XXII-2

141


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Table

3666. 9031-48-5 0 1 0 Glucosyltransferase XXII-2

3667. 9027-19-4 0 1 0 Glucosyltransferase, uridine diphosphoglucose-1,4-

β-glucan

XXII-2

3668. 50812-18-5 0 1 0 Glucosyltransferase, uridine diphosphoglucose-flavonol 3-O-glucoside

XXII-2

3669. 9030-05-1 0 1 0 Glucosyltransferase, uridine diphosphoglucose-fructose

XXII-2

3670. 9030-06-2 0 1 0 Glucosyltransferase, uridine diphosphoglucose-fructose phosphate

XXII-2

3671. 146480-37-7 0 1 0 Glucosyltransferase, uridine diphosphoglucose-salicylate 3-

XXII-2

3672. 37294-28-3 0 1 0 Glucoxylan II.A-5, VIII-3

3673. 576-37-4 0 1 0 Glucuronic acid

O

OH

OH

OH

HO

HOOC

II.A-5, IV.A-3, X-2

3674. 28905-07-9 0 1 0 α-D-Glucuronic acid, methyl ester II.A-5, V-3, X-2

3675. 9001-45-0 0 1 0 Glucuronidase, β- XXII-2

3676. 32449-92-6 0 1 0 D-Glucurono-3,6-lactone O

OH

OH

O

OH

O

II.A-5, VI-3, X-2

3677. 62930-75-0 0 1 0 Glucuronomannan II.A-5, VIII-3

3678. 77272-02-7 0 1 0 Glucuronomannoarabinan II.A-5, VIII-3

3679. 6899-05-4 1 1 1 Glutamic acid HOOC-(CH2)2-CH(NH2)-COOH

IV.A-3, IV.B-7, XII-2

3680. 56-86-0 0 1 0 L-Glutamic acid IV.A-3, IV.B-7, XII-2

3681. 997-68-2 0 1 0 L-Glutamic acid, N-(5-amino-5-carboxypentyl)-, (S)- IV.A-3, IV.B-7, XII-2

3682. 58-05-9 0 1 0 L-Glutamic acid, N-[4-[[(2-amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-


3683. 1116-22-9 0 1 0 L-Glutamic acid, N-L-γ-glutamyl- IV.A-3, IV.B-7, XII-2

3684. 3929-61-1 0 1 0 L-Glutamic acid, N-L-α-glutamyl- IV.A-3, IV.B-7, XII-2

3685. 6899-04-3 0 1 0 Glutamine H2N-OC-(CH2)2-CH(NH2)-COOH

IV.A-3, IV.B-7, XII-2, XIII-1

3686. 56-85-9 1 1 1 L-Glutamine IV.A-3, IV.B-7, XII-2

3687. 9046-27-9 0 1 0 Glutamyltransferase, γ- XXII-2

3688. 9061-41-0 0 1 0 Glutenin XXII-2

3689. 56-40-6 1 1 1 Glycine H2N-CH2-COOH IV.A-3, IV.B-7, XII-2

3690. 18875-39-3 0 1 0 Glycine, labeled with 14

C IV.A-3, IV.B-7, XII-2

3691. 0 1 0 Glycine, N-(1-deoxy-D-fructos-1-yl)- II.A-5, IV.A-3, IV.B-7, XII-2

3692. 88476-94-2 0 1 0 Glycine, N-(1-nitroso-L-prolyl)- IV.A-3, IV.B-7, XV-8, XVII.A-4

3693. 70-18-8 0 1 0 Glycine, N-(N-L-γ-glutamyl-L-cysteinyl)- {glutathione}

IV.A-3, IV.B-7, XII-2, XVIII.A-1

3694. 1071-83-6 0 1 0 Glycine, N-(phosphonomethyl)- IV.A-3, IV.B-7, XII-2

142


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Table

3695. 1118-68-9 0 1 0 Glycine, N,N-dimethyl- (H3C)2=N-CH2-COOH IV.A-3, IV.B-7, XII-2

3696. 73360-07-3 0 1 0 Glycine, N-[2-(2-aminoethoxy)ethenyl]- IV.A-3, IV.B-7, X-1, XII-2

3697. 19246-18-5 0 1 0 Glycine, N-L-cysteinyl- IV.A-3, IV.B-7, XII-2, XVIII.A-1

3698. 20661-60-3 0 1 0 Glycine, N-methyl-N-nitro- XVI-1

3699. 13256-22-9 1 1 1 Glycine, N-methyl-N-nitroso- {NSAR} H3C-N(NO)-CH2-COOH

IV.A-3, IV.B-7, XII-2, XV-8

3700. 1 1 1 Glycine, N-methyl-N-nitroso-, methyl ester H3C-N(NO)-CH2-COO CH3 V-3, XII-2, XV-8

3701. 0 1 0 Glycosidase XXII-2

3702. 9001-97-2 0 1 0 Glycosyltransferase, α-glucan-branching XXII-2

3703. 37347-76-5 0 1 0 Glyoxalase XXII-2

3704. 7440-57-5 1 1 1 Gold Au XX-5

3705. 306-60-5 0 1 0 Guanidine, (4-aminobutyl)- XII-2

3706. 86-01-1 0 1 0 Guanosine 5'-(tetrahydrogen triphosphate) XII-2, XVII.E-8

3707. 7440-58-6 1 1 1 Hafnium Hf XX-5

3708. 9034-32-6 0 1 0 Hemicellulose VIII-3

3709. 63100-39-0 0 1 0 Hemicellulose A VIII-3

3710. 63100-40-3 0 1 0 Hemicellulose B VIII-3

3711. 65058-12-0 0 1 0 Hemicellulose C VIII-3

3712. 629-94-7 1 1 1 Heneicosane H3C-(CH2)19-CH3 I.A-10

3713. 1 0 0 Heneicosane, 2-methyl- H3C-CH(CH3)-(CH2)18-CH3 I.A-10

3714. 1 0 0 Heneicosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)17-CH3 I.A-10

3715. 2363-71-5 1 1 1 Heneicosanoic acid H3C-(CH2)19-COOH 4.A-3

3716. 42233-02-3 1 1 1 Heneicosanoic acid, docosyl ester H3C-(CH2)19-COO-(CH2)21-CH3 V-3

3717. 42232-93-9 1 1 1 Heneicosanoic acid, dodecyl ester H3C-(CH2)19-COO-(CH2)11-CH3 V-3

3718. 42233-00-1 1 1 1 Heneicosanoic acid, eicosyl ester H3C-(CH2)19-COO-(CH2)19-CH3 V-3

3719. 42233-01-2 1 1 1 Heneicosanoic acid, heneicosyl ester H3C-(CH2)19-COO-(CH2)20-CH3 V-3

3720. 1 1 1 Heneicosanoic acid, heptacosyl ester H3C-(CH2)19-COO-(CH2)26-CH3 V-3

3721. 42232-98-4 1 1 1 Heneicosanoic acid, heptadecyl ester H3C-(CH2)19-COO-(CH2)16-CH3 V-3

3722. 1 0 0 Heneicosanoic acid, hexacosyl ester H3C-(CH2)19-COO-(CH2)25-CH3 V-3

3723. 42232-97-3 1 1 1 Heneicosanoic acid, hexadecyl ester H3C-(CH2)19-COO-(CH2)15-CH3 V-3

3724. 42232-99-5 1 1 1 Heneicosanoic acid, nonadecyl ester H3C-(CH2)19-COO-(CH2)18-CH3 V-3

3725. 121878-00-0 1 1 1 Heneicosanoic acid, octacosyl ester H3C-(CH2)19-COO-(CH2)27-CH3 V-3

3726. 1 0 0 Heneicosanoic acid, octadecyl ester H3C-(CH2)19-COO-(CH2)17-CH3 V-3

3727. 1 1 1 Heneicosanoic acid, pentacosyl ester H3C-(CH2)19-COO-(CH2)24-CH3 V-3

3728. 42232-96-2 1 1 1 Heneicosanoic acid, pentadecyl ester H3C-(CH2)19-COO-(CH2)14-CH3 V-3

3729. 42233-04-5 1 1 1 Heneicosanoic acid, tetracosyl ester H3C-(CH2)19-COO-(CH2)23-CH3 V-3

3730. 42232-95-1 1 1 1 Heneicosanoic acid, tetradecyl ester H3C-(CH2)19-COO-(CH2)13-CH3 V-3

3731. 42233-03-4 1 1 1 Heneicosanoic acid, tricosyl ester H3C-(CH2)19-COO-(CH2)22-CH3 V-3

3732. 42232-94-0 1 1 1 Heneicosanoic acid, tridecyl ester H3C-(CH2)19-COO-(CH2)12-CH3 V-3

3733. 36332-94-2 1 1 1 Heneicosanoic acid, 19-methyl- H3C-CH2-CH(CH3)-(CH2)17-COOH IV.A-3

3734. 121877-70-1 1 1 1 Heneicosanoic acid, 19-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)17-COO-(CH2)21-CH3

V-3

143


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Chapter

Table

3735. 121877-61-0 1 1 1 Heneicosanoic acid, 19-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)17-COO-(CH2)20-CH3

V-3

3736. 6704-01-4 1 1 1 Heneicosanoic acid, 20-methyl- (H3C)2=CH-(CH2)18-COOH IV.A-3

3737. 71278-17-6 1 0 0 Heneicosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester

V-3

3738. 15594-90-8 1 1 1 1-Heneicosanol H3C-(CH2)19-CH2OH II.A-5

3739. 1599-68-4 1 0 0 1-Heneicosene H3C-(CH2)18-CH=CH2 I.B-1

3740. 1 0 0 1-Heneicosene, 2-methyl- H2C=C(CH3)-(CH2)18-CH3 I.B-1

3741. 1 0 0 2-Heneicosene, (Z)- H3C-CH=CH-(CH2)17-CH3 I.B-1

3742. 1 0 0 2-Heneicosene, (E)- I.B-1

3743. 1 0 0 2-Heneicosene, 2-methyl- H3C-C(CH3)H=CH-(CH2)17-CH3 I.B-1

3744. 1 0 0 2-Heneicosene, 19-methyl-,(Z)- H3C-CH=CH-(CH2)15-CH(CH3)-CH2-CH3 I.B-1

3745. 1 0 0 2-Heneicosene, 19-methyl-, (E)- I.B-1

3746. 1 0 0 2-Heneicosene, 20-methyl-, (Z)- H3C-CH=CH-(CH2)16-CH(CH3)2 I.B-1

3747. 1 0 0 2-Heneicosene, 20-methyl-, (E)- I.B-1

3748. 28984-67-0 1 1 1 Heneicosenoic acid IV.A-3

3749. 66288-40-2 1 0 0 Heneicosenoic acid, 19-methyl- IV.A-3

3750. 66288-41-3 1 0 0 Heneicosenoic acid, 20-methyl- IV.A-3

3751. 1 0 0 Hentetracontane H3C-(CH2)39-CH3 I.A-10

3752. 6704-02-5 1 0 0 5,9,13,17,21,25,29-Hentriacontaheptaen-2-one, 6,10,14,18,22,26,30-heptamethyl-

III-13

3753. 630-04-6 1 1 1 Hentriacontane H3C-(CH2)29-CH3 I.A-10

3754. 1720-12-3 1 1 1 Hentriacontane, 2-methyl- (H3C)2=CH-(CH2)28-CH3 I.A-10

3755. 4981-99-1 1 1 1 Hentriacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)27-CH3 I.A-10

3756. 67537-80-8 1 0 0 Hentriacontanoic acid H3C-(CH2)29-COOH IV.A-3

3757. 71278-18-7 1 0 0 Hentriacontanoic acid, hentriacontyl ester H3C-(CH2)29-COO-(CH2)30-CH3 V -3

3758. 502-73-8 1 1 1 16-Hentriacontanone H3C-(CH2)14-CO-(CH2)14-CH3 III-13

3759. 77046-64-1 1 1 1 Hentriacontene I.B-1

3760. 18435-54-6 1 0 0 1-Hentriacontene H3C-(CH2)28-CH=CH2 I.B-1

3761. 1 0 0 1-Hentriacontene, 2-methyl- H2C=C(CH3)-(CH2)28-CH3 I.B-1

3762. 1 0 0 2-Hentriacontene, (Z)- H3C-CH=CH-(CH2)27-CH3 I.B-1

3763. 1 0 0 2-Hentriacontene, (E)- I.B-1

3764. 1 1 1 2-Hentriacontene, 2-methyl- H3C-C(CH3)=CH-(CH2)27-CH3 I.B-1

3765. 1 0 0 2-Hentriacontene, 29-methyl-, (Z)- H3C-CH=CH-(CH2)25-CH(CH3)-CH2-CH3

I.B-1

3766. 1 0 0 2-Hentriacontene, 29-methyl-, (E)- I.B-1

3767. 1 0 0 2-Hentriacontene, 30-methyl-, (Z)- H3C-CH=CH-(CH2)26-CH(CH3)2 I.B-1

3768. 1 0 0 2-Hentriacontene, 30-methyl-, (E)- I.B-1

3769. 7719-93-9 1 1 1 Heptacontane H3C-(CH2)35-CH3 I.A-10

3770. 32304-17-9 1 1 1 5,9,13,17,21,25-Heptacosahexaen-2-one, 6,10,14,18,22,26-hexamethyl-, (all-E)-

III-13

3771. 593-49-7 1 1 1 Heptacosane H3C-(CH2)25-CH3 I.A-10

3772. 1561-00-8 1 1 1 Heptacosane, 2-methyl- (H3C)2=CH-(CH2)24-CH3 I.A-10

144


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Chapter

Table

3773. 14167-66-9 1 1 1 Heptacosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)23-CH3 I.A-10

3774. 7138-40-1 1 0 0 Heptacosanoic acid H3C-(CH2)25-COOH IV.A-3

3775. 121877-96-1 1 1 1 Heptacosanoic acid, docosyl ester H3C-(CH2)25-COO-(CH2)21-CH3 V-3

3776. 1 1 1 Heptacosanoic acid, dodecyl ester H3C-(CH2)25-COO-(CH2)11-CH3 V-3

3777. 117063-83-9 1 1 1 Heptacosanoic acid, eicosyl ester H3C-(CH2)25-COO-(CH2)19-CH3 V-3

3778. 1 1 1 Heptacosanoic acid, heneicosyl ester H3C-(CH2)25-COO-(CH2)20-CH3 V-3

3779. 1 1 1 Heptacosanoic acid, heptacosyl ester H3C-(CH2)25-COO-(CH2)26-CH3 V-3

3780. 1 1 1 Heptacosanoic acid, heptadecyl ester H3C-(CH2)25-COO-(CH2)16-CH3 V-3

3781. 1 1 1 Heptacosanoic acid, hexacosyl ester H3C-(CH2)25-COO-(CH2)25-CH3 V-3

3782. 1 1 1 Heptacosanoic acid, hexadecyl ester H3C-(CH2)25-COO-(CH2)15-CH3 V-3

3783. 1 1 1 Heptacosanoic acid, nonadecyl ester H3C-(CH2)25-COO-(CH2)18-CH3 V-3

3784. 1 1 1 Heptacosanoic acid, octadecyl ester H3C-(CH2)25-COO-(CH2)17-CH3 V-3

3785. 1 1 1 Heptacosanoic acid, pentacosyl ester H3C-(CH2)25-COO-(CH2)24-CH3 V-3

3786. 1 1 1 Heptacosanoic acid, pentadecyl ester H3C-(CH2)25-COO-(CH2)14-CH3 V-3

3787. 1 1 1 Heptacosanoic acid, tetracosyl ester H3C-(CH2)25-COO-(CH2)231-CH3 V-3

3788. 1 1 1 Heptacosanoic acid, tetradecyl ester H3C-(CH2)25-COO-(CH2)13-CH3 V-3

3789. 1 1 1 Heptacosanoic acid, tricosyl ester H3C-(CH2)25-COO-(CH2)22-CH3 V-3

3790. 1 1 1 Heptacosanoic acid, tridecyl ester H3C-(CH2)25-COO-(CH2)12-CH3 V-3

3791. 121878-01-1 1 1 1 Heptacosanoic acid, 25-methyl-, docosyl ester H3C-CH2CH(CH3)-(CH2)23-COO-(CH2)21-CH3

V-3

3792. 121877-93-8 1 1 1 Heptacosanoic acid, 25-methyl-, heneicosyl ester H3C-CH2CH(CH3)-(CH2)23-COO-(CH2)20-CH3

V-3

3793. 2004-39-9 0 1 0 1-Heptacosanol H3C-(CH2)25-CH2OH II.A-5

3794. 63785-26-2 0 1 0 1-Heptacosanol, 26-methyl- (H3C)2=CH-(CH2)24-CH2OH II.A-5

3795. 542-50-7 0 1 0 14-Heptacosanone H3C-(CH2)12-CO-(CH2)12-CH3 III-13

3796. 67537-80-8 1 0 0 Heptacosene I.B-1

3797. 15306-27-1 1 0 0 1-Heptacosene H3C-(CH2)24-CH=CH2 I.B-1

3798. 1 0 0 2-Heptacosene, (Z)- H3C-CH=CH-(CH2)23-CH3 I.B-1

3799. 1 0 0 2-Heptacosene, (E)- I.B-1

3800. 1 0 0 2-Heptacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)23-CH3 I.B-1

3801. 1 0 0 2-Heptacosene, 25-methyl-, (Z)- H3C-CH=CH-(CH2)21-CH(CH3)-CH2-CH3

I.B-1

3802. 1 0 0 2-Heptacosene, 25-methyl-, (E)- I.B-1

3803. 1 0 0 2-Heptacosene, 26-methyl-, (Z)- H3C-CH=CH-(CH2)22-CH(CH3)2 I.B-1

3804. 1 0 0 2-Heptacosene, 26-methyl-, (E)- I.B-1

3805. 56797-42-3 0 1 0 8,11-Heptadecadienal, (Z,Z)- III-12

3806. 37822-80-3 0 1 0 Heptadecadienoic acid, methyl ester V-3

3807. 629-90-3 0 1 0 Heptadecanal H3C-(CH2)15-CH=O III-12

3808. 629-78-7 1 1 1 Heptadecane H3C-(CH2)15-CH3 I.A-10

3809. 1560-89-0 1 1 1 Heptadecane, 2-methyl- H3C-(CH2)14-CH=(CH3)2 I.A-10

3810. 0 1 0 Heptadecane, 3-methyl- H3C-(CH2)13-CH(CH3)-CH2-CH3 I.A-10

3811. 13287-23-5 1 0 0 Heptadecane, 8-methyl- H3C-(CH2)6-CH(CH3)-(CH2)8-CH3 I.A-10

145


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Table

3812. 506-12-7 1 1 1 Heptadecanoic acid H3C-(CH2)15-COOH IV.A-3

3813. 42218-25-7 1 1 1 Heptadecanoic acid, docosyl ester H3C-(CH2)15-COO-(CH2)21-CH3 V-3

3814. 42232-43-9 1 1 1 Heptadecanoic acid, dodecyl ester H3C-(CH2)15-COO-(CH2)11-CH3 V-3

3815. 36617-53-5 1 1 1 Heptadecanoic acid, eicosyl ester H3C-(CH2)15-COO-(CH2)19-CH3 V-3

3816. 42232-52-0 1 1 1 Heptadecanoic acid, heneicosyl ester H3C-(CH2)15-COO-(CH2)20-CH3 V-3

3817. 1 1 1 Heptadecanoic acid, heptacosyl ester H3C-(CH2)15-COO-(CH2)26-CH3 V-3

3818. 36617-50-2 1 1 1 Heptadecanoic acid, heptadecyl ester H3C-(CH2)15-COO-(CH2)16-CH3 V-3

3819. 121877-64-3 1 1 1 Heptadecanoic acid, hexacosyl ester H3C-(CH2)15-COO-(CH2)25-CH3 V-3

3820. 36617-49-9 1 1 1 Heptadecanoic acid, hexadecyl ester H3C-(CH2)15-COO-(CH2)15-CH3 V-3

3821. 1731-92-6 1 1 1 Heptadecanoic acid, methyl ester H3C-(CH2)15-COO-CH3 V-3

3822. 36617-52-4 1 1 1 Heptadecanoic acid, nonadecyl ester H3C-(CH2)15-COO-(CH2)18-CH3 V-3

3823. 36617-51-3 1 1 1 Heptadecanoic acid, octadecyl ester H3C-(CH2)15-COO-(CH2)17-CH3 V-3

3824. 1 1 1 Heptadecanoic acid, pentacosyl ester H3C-(CH2)15-COO-(CH2)24-CH3 V-3

3825. 36617-48-8 1 1 1 Heptadecanoic acid, pentadecyl ester H3C-(CH2)15-COO-(CH2)14-CH3 V-3

3826. 42232-54-2 1 1 1 Heptadecanoic acid, tetracosyl ester H3C-(CH2)15-COO-(CH2)23-CH3 V-3

3827. 36617-47-7 1 1 1 Heptadecanoic acid, tetradecyl ester H3C-(CH2)15-COO-(CH2)13-CH3 V-3

3828. 42232-53-1 1 1 1 Heptadecanoic acid, tricosyl ester H3C-(CH2)15-COO-(CH2)22-CH3 V-3

3829. 36617-46-6 1 1 1 Heptadecanoic acid, tridecyl ester H3C-(CH2)15-COO-(CH2)12-CH3 V-3

3830. 29709-08-8 1 1 1 Heptadecanoic acid, 15-methyl- H3C-CH2-CH(CH3)-(CH2)13-COOH IV.A-3

3831. 121877-42-7 1 1 1 Heptadecanoic acid, 15-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)20-CH3

V-3

3832. 121877-68-7 1 1 1 Heptadecanoic acid, 15-methyl-, hexacosyl ester H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)25-CH3

V-3

3833. 121877-81-4 1 1 1 Heptadecanoic acid, 15-methyl-, octacosyl ester H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)27-CH3

V-3

3834. 121877-52-9 1 1 1 Heptadecanoic acid, 15-methyl-, tricosyl ester H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)22-CH3

V-3

3835. 2724-58-5 1 1 1 Heptadecanoic acid, 16-methyl- (H3C)2=CH-(CH2)14-COOH IV.A-3

3836. 150462-99-0 0 1 0 Heptadecanoic acid, 16-methyl-, 2-(acetyloxy)-1-(hydroxymethyl)ethyl ester

II.A-5, V-3

3837. 150462-98-9 0 1 0 Heptadecanoic acid, 16-methyl-, 3-(acetyloxy)-2-hydroxypropyl ester

II.A-5, V-3

3838. 121877-46-1 1 1 1 Heptadecanoic acid, 16-methyl-, docosyl ester (H3C)2=CH-(CH2)14-COO-(CH2)21-CH3 V-3

3839. 52458-35-2 0 1 0 Heptadecanoic acid, 16-methyl-, ethyl ester (H3C)2=CH-(CH2)14-COO-C2H5 V-3

3840. 121877-36-9 1 1 1 Heptadecanoic acid, 16-methyl-, heneicosyl ester (H3C)2=CH-(CH2)14-COO-(CH2)20-CH3 V-3

3841. 5129-61-3 0 1 0 Heptadecanoic acid, 16-methyl-, methyl ester (H3C)2=CH-(CH2)14-COO-CH3 V-3

3842. 121877-50-7 1 1 1 Heptadecanoic acid, 16-methyl-, tricosyl ester (H3C)2=CH-(CH2)14-COO-(CH2)22-CH3

V-3

3843. 0 1 0 Heptadecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34- hexatriacontanonaenyl ester

V-3

3844. 71278-19-8 1 0 0 Heptadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester

V-3

3845. 1454-85-9 1 1 1 1-Heptadecanol H3C-(CH2)15-CH2OH II.A-5

146


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Selected structures

Chapter

Table

3846. 41744-75-6 1 0 0 1-Heptadecanol, 16-methyl- (H3C)2=CH-(CH2)14-CH2OH II.A-5

3847. 56797-44-5 0 1 0 8,11,14-Heptadecatrienal, (Z,Z,Z)- III-12

3848. 37822-82-5 0 1 0 Heptadecatrienoic acid, methyl ester V-3

3849. 26266-05-7 1 1 1 Heptadecene H-(CH2)15-n-CH=CH-(CH2)n-H I.B-1

3850. 6765-39-5 1 0 0 1-Heptadecene H3C-(CH2)14-CH=CH2 I.B-1

3851. 1 0 0 1-Heptadecene, 2-methyl- H2C=C(CH3)-(CH2)14-CH3 I.B-1

3852. 1 0 0 2-Heptadecene, (Z)- H3C-CH=CH-(CH2)13-CH3 I.B-1

3853. 1 0 0 2-Heptadecene, (E)- I.B-1

3854. 1 0 0 2-Heptadecene, 2-methyl- H3C-C(CH3)=CH-(CH2)13-CH3 I.B-1

3855. 1 0 0 2-Heptadecene, 15-methyl-, (Z)- H3C-CH=CH-(CH2)11-CH(CH3)-CH2-CH3

I.B-1

3856. 1 0 0 2-Heptadecene, 15-methyl-, (E)- I.B-1

3857. 1 0 0 2-Heptadecene, 16-methyl-, (Z)- H3C-CH=CH-(CH2)12-CH(CH3)2 I.B-1

3858. 1 0 0 2-Heptadecene, 16-methyl-, (E)- I.B-1

3859. 36232-39-0 1 0 0 2-Heptadecene, 4-methylene-8,12,16-trimethyl- H3C-CH=CH-C(=CH2)-CH2-{(CH2)2-CH(CH3)-CH2}3-H I.B-1

3860. 26265-99-6 1 1 1 Heptadecenoic acid H-(CH2)14-n-CH=CH-(CH2)n-COOH IV.A-3

3861. 31424-16-5 0 1 0 Heptadecenoic acid, methyl ester H-(CH2)14-n-CH=CH-(CH2)n-COO-CH3 V-3

3862. 4313-03-5

5910-85-0

0 1 0 2,4-Heptadienal O=CH-CH=CH-CH=CH-CH2-CH=O

III-12

3863. 51945-98-3 0 1 0 1,5-Heptadiene-3,4-diol H3C-CH=CH-CHOH-CHOH-CH=CH2

II.A-5

3864. 74630-29-8 0 1 0 1,5-Heptadiene, 3,3,5-trimethyl- H3C-CH=C(CH3)-CH2-C(CH3)2-CH=CH2

I.B-1

3865. 1 0 0 2,4-Heptadiene, 2,6-dimethyl- I.B-1

3866. 72693-11-9 1 1 1 2,5-Heptadienoic acid, 2,3-dimethyl- IV.A-3

3867. 54557-55-0 0 1 0 4,6-Heptadienoic acid, 6-methyl-3-(1-methylethyl)-, (E)-

IV.A-3

3868. 54557-57-2 0 1 0 4,6-Heptadienoic acid, 6-methyl-3-(1-methylethyl)-, methyl ester, (E)-

V-3

3869. 77411-76-8 0 1 0 3,5-Heptadien-2-ol, 2,6-dimethyl- II.A-5

3870. 57935-33-8 0 1 0 4,6-Heptadien-1-ol, 6-methyl-3-(1-methylethyl)-, (E)- II.A-5

3871. 79-78-7 0 1 0 1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- {allylionone}

III-13

3872. 0 1 0 3,5-Heptadien-2-one, 6-methyl-, (Z)- III-13

3873. 1604-28-0 1 1 1 3,5-Heptadien-2-one, 6-methyl-, (E)- (H3C)2=C=CH-CH=CH-CO-CH3 III-13

3874. 0 1 0 4,6-Heptadien-2-one, 5-(1-methylethyl)-7-(tetrahydro-2-methylfuranyl)-

III-13, X-2

3875. 3511-27-1 1 0 0 1,5-Heptadien-3-yne H3C-CH=CH-C≡C-CH=CH2 I.B-1

3876. 111-71-7 1 0 0 Heptanal H3C-(CH2)5-CH=O III-12

3877. 111-68-2 1 1 1 1-Heptanamine H3C-(CH2)6-NH2 XII-2

3878. 142-82-5 1 0 0 Heptane H3C-(CH2)5-CH3 I.A-10

3879. 629-06-1 1 0 0 Heptane, 1-chloro- H3C-(CH2)5-CH2Cl XVIII.B-3

3880. 1 0 0 Heptane, dimethyl- I.A-10

147


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Selected structures

Chapter

Table

3881. 2213-23-2 0 1 0 Heptane, 2,4-dimethyl- I.A-10

3882. 592-27-8 1 0 0 Heptane, 2-methyl- H3C-(CH2)4-CH=(CH3)2 I.A-10

3883. 15869-80-4 1 0 0 Heptane, 3-ethyl- H3C-(CH2)3-CH=(C2H5)2 I.A-10

3884. 589-81-1 1 0 0 Heptane, 3-methyl- H3C-(CH2)3-CH(CH3)-CH2-CH3 I.A-10

3885. 1632-16-2 0 1 0 Heptane, 3-methylene- H3C-(CH2)3-C(=CH2)-CH2-CH3 I.B-1

3886. 646-20-8 1 0 0 Heptanedinitrile NC-(CH2)5-CN XI-2

3887. 111-16-0 1 0 0 Heptanedioic acid {pimelic acid} HOOC-(CH2)5-COOH IV.A-3

3888. 535-24-0 0 1 0 Heptanedioic acid, 2,6-diamino-3-hydroxy- II.A-5, IV.A-3, XII-2

3889. 96-04-8 1 0 0 2,3-Heptanedione H3C-(CH2)3-CO-CO-CH3 III-13

3890. 7307-02-0 1 0 0 2,4-Heptanedione H3C-(CH2)2-CO-CH2-CO-CH3 III-13

3891. 3002-23-1 0 1 0 2,4-Heptanedione, 6-methyl- (H3C)2=CH-CH2-CO-CH2-CO-CH3 III-13

3892. 0 1 0 2,5-Heptanedione, 4-(1-methylethyl)- III-13

3893. 13901-85-4 0 1 0 2,5-Heptanedione, 6-methyl- (H3C)2=CH-CO-(CH2)2-CO-CH3 III-13

3894. 13505-34-5 1 1 1 2,6-Heptanedione H3C-CO-(CH2)3-CO-CH3 III-13

3895. 0 1 0 2,6-Heptanedione, 3-methyl- H3C-CO-CH(CH3)-(CH2)2-CO-CH3 III-13

3896. 111-14-8 1 1 1 Heptanoic acid {enanthic acid} H3C-(CH2)5-COOH IV.A-3

3897. 0 1 0 Heptanoic acid, 2-ethyl- IV.A-3

3898. 59262-53-2 0 1 0 Heptanoic acid, 3-(1-methylethyl)-6-oxo-, (S)- III-13, IV.A-3

3899. 39815-78-6 0 1 0 Heptanoic acid, 3-oxo-, methyl ester H3C-(CH2)3-CO-CH2-COO-CH3 III-13, V-3

3900. 1070-68-4 0 1 0 Heptanoic acid, 5-methyl- IV.A-3

3901. 42330-36-9 0 1 0 Heptanoic acid, 5-methyl-, (S)- IV.A-3

3902. 929-10-2 0 1 0 Heptanoic acid, 6-methyl- IV.A-3

3903. 3128-07-2 1 0 0 Heptanoic acid, 6-oxo- H3C-CO-(CH2)4-COOH III-13, IV.A-3

3904. 98188-02-4 0 1 0 Heptanoic acid, 7-(2-furanyl)-, methyl ester V-3, X-2

3905. 106-30-9 0 1 0 Heptanoic acid, ethyl ester H3C-(CH2)5-COO-C2H5 V-3

3906. 106-73-0 0 1 0 Heptanoic acid, methyl ester H3C-(CH2)5-COO-CH3 V-3

3907. 111-70-6 1 1 1 1-Heptanol H3C-(CH2)5-CH2OH II.A-5

3908. 1653-40-3 0 1 0 1-Heptanol, 6-methyl- II.A-5

3909. 543-49-7 0 1 0 2-Heptanol H3C-(CH2)4-CHOH-CH3 II.A-5

3910. 110-43-0 1 1 1 2-Heptanone {methyl pentyl ketone} H3C-(CH2)4-CO-CH3 III-13

3911. 52812-44-9 1 0 0 2-Heptanone, 5-(3-acetyloxiranyl)-6-methyl- III-13

3912. 52812-43-8 0 1 0 2-Heptanone, 5-[3-(1-hydroxy-1-methylethyl)oxiranyl]-6-methyl-

II.A-5, III-13, X-2

3913. 0 1 0 2-Heptanone, 5-(2,3-dihydro-4-methyl-6-pyranyl)-6-methyl-

III-13, X-2

3914. 0 1 0 2-Heptanone, 5-(5,6-dihydro-4-methyl-2-pyranyl)-6-methyl-

O

O

H3C

CH3

CH3

H3C

III-13, X-2

3915. 121269-00-9 0 1 0 2-Heptanone, 6-(5-methyl-2-furanyl)- III-13, X-2

3916. 72693-12-0 1 0 0 2-Heptanone, 6-hydroxy- H3C-CHOH-(CH2)3-CO-CH3 II.A-5, III-13

148


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Chapter

Table

3917. 928-68-7 1 1 1 2-Heptanone, 6-methyl- III-13

3918. 41059-93-2 0 1 0 2-Heptanone, 6-methyl-5-(4-methyl-2-furanyl)- {solanofuran}

OO

III-13, X-2

3919. 106-35-4 1 0 0 3-Heptanone {ethyl butyl ketone} H3C-CH2-CO-(CH2)3-CH3 III-13

3920. 19549-83-8 1 0 0 3-Heptanone, 2,6-dimethyl- III-13

3921. 123-19-3 1 0 0 4-Heptanone {butyrone; dipropyl ketone} H3C-(CH2)2-CO-(CH2)2-CH3 III-13

3922. 108-83-8 1 0 0 4-Heptanone, 2,6-dimethyl- III-13

3923. 1 1 1 Heptatriacontane H3C-(CH2)35-CH3 I.A-10

3924. 24587-25-5 1 0 0 1,3,5-Heptatriene H3C-(CH=CH)2-CH=CH2 I.B-1

3925. 2463-63-0 0 1 0 2-Heptenal H3C-(CH2)3-CH=CH-CH=O III-12

3926. 30567-26-1 1 0 0 2-Heptenal, 2-methyl- H3C-(CH2)3-CH=C(CH3)-CH=O III-12

3927. 34098-52-7 0 1 0 D-xylo-Hept-2-enaric acid, 2,6-anhydro-3-deoxy-

{2H-pyran-2,4-dicarboxylic acid, 3,4-dihydro-3,4-dihydroxy-}

II.A-5

3928. 592-76-7 1 0 0 1-Heptene H2C=CH-(CH2)4-CH3 I.B-1

3929. 592-77-8 1 0 0 2-Heptene H3C-CH=CH-(CH2)3-CH3 I.B-1

3930. 77288-93-8 0 1 0 2-Heptene-1,6-diol, 3-(1-methylethyl)-, (E)- H3C-CHOH-(CH2)2-C[CH(CH3)2] =CH-CH2OH

II.A-5

3931. 21504-51-8 0 1 0 3-Heptene-2,5-dione, 6-methyl- III-13

3932. 25377-46-2 1 1 1 Heptenoic acid IV.A-3

3933. 18999-28-5 0 1 0 2-Heptenoic acid H3C-(CH2)3-CH=CH-COOH IV.A-3

3934. 499-84-3 0 1 0 2-Heptenoic acid, 3-(1-methylethyl)-6-oxo- H3C-CO-(CH2)2-C[CH(CH3)2]=CH-COOH

III-13, IV.A-3

3935. 41654-06-2 0 1 0 2-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (E)- III-13, IV.A-3

3936. 63892-03-5 0 1 0 2-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (Z)- III-13, IV.A-3

3937. 35194-37-7 0 1 0 4-Heptenoic acid H3C-CH2-CH=CH-(CH2)2-COOH IV.A-3

3938. 41653-95-6 0 1 0 4-Heptenoic acid, (Z)- IV.A-3

3939. 105728-84-5 0 1 0 4-Heptenoic acid, 6-hydroxy- II.A-5, IV.A-3

3940. 41654-07-3 0 1 0 4-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (E)- H3C-CO-CH=CH-CH[CH(CH3)2]-CH2-COOH

III-13, IV.A-3

3941. 1119-60-4 0 1 0 6-Heptenoic acid H2C=CH-(CH2)4-COOH IV.A-3

3942. 0 1 0 6-Heptenoic acid, 5-methyl- H2C=CH-CH(CH3)-(CH2)3-COOH IV.A-3

3943. 30414-57-4 0 1 0 6-Heptenoic acid, 3-oxo-, methyl ester H2C=CH-(CH2)2-CO-CH2-COO-CH3

V-3

3944. 1335-09-7 0 1 0 Heptenol, methyl- II.A-5

3945. 33467-78-4 0 1 0 2-Hepten-1-ol (E) H3C-(CH2)3-CH=CH-CH2OH II.A-5

3946. 55454-22-3 0 1 0 2-Hepten-1-ol (Z) II.A-5

3947. 70898-26-9 0 1 0 3-Hepten-2-ol, 5-ethyl-2,6-dimethyl- II.A-5

3948. 0 1 0 3-Hepten-2-ol, 5-(1-methylethy)-2-methyl- II.A-5

3949. 58927-84-7 0 1 0 4-Hepten-2-ol, 6-methyl-, (E)- II.A-5

149


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Selected structures

Chapter

Table

3950. 1569-60-4 0 1 0 5-Hepten-2-ol, 6-methyl- II.A-5

3951. 42201-30-9 0 1 0 6-Hepten-2-ol, 4-methylene- II.A-5

3952. 57782-61-3 0 1 0 6-Hepten-2-ol, 5-(1-methylethyl)-7-(tetrahydro-2-methyl-2-furanyl)-

II.A-5, X-2

3953. 409-02-9 0 1 0 Heptenone, methyl- III-13

3954. 1119-44-4 0 1 0 3-Hepten-2-one H3C-(CH2)2-CH=CH-CO-CH3 III-13

3955. 129742-47-8 0 1 0 3-Hepten-2-one, 5-ethyl-5-hydroxy-6-methyl-, [R-(E)]-

II.A-5, III-13

3956. 57283-79-1 0 1 0 3-Hepten-2-one, 5-ethyl-6-methyl- III-13

3957. 50767-76-5 0 1 0 3-Hepten-2-one, 5-ethyl-6-methyl-, (E)- III-13

3958. 0 1 0 3-Hepten-2-one, 5-(1-methylethyl)- III-13

3959. 2009-74-7 1 1 1 3-Hepten-2-one, 6-methyl- III-13

3960. 152209-54-6 0 1 0 3-Hepten-2-one, 5-(1-methylethyl)-7-[2-methyl-3-(3-methyl-5-oxo-3-hexenyl)oxiranyl]-, [2S-

[2α(3E,5R*),3β(E)]]-

III-13, X-2

3961. 110-93-0 1 1 1 5-Hepten-2-one, 6-methyl- III-13

3962. 57782-60-2 0 1 0 6-Hepten-2-one, 5-(1-methylethyl)-7-(tetrahydro-2-methyl-2-furanyl)-

O

CH3

CH=CH-CH-(CH2)2-CO-CH

CH3H3C

III-13, X-2

3963. 104669-35-4 0 1 0 6-Hepten-2-one, 5-(1-methylethyl)-7-(tetrahydro-4-hydroxy-2-methyl-2-furanyl)-

II.A-5, III-13, X-2

3964. 160115-55-9 0 1 0 6-Hepten-2-one, 7-[4-(acetyloxy)tetrahydro-5-hydroxy-2-methyl-2-furanyl]-5-(1-methylethyl)-

II.A-5, III-13, X-2

3965. 117210-48-7 0 1 0 6-Hepten-2-one, 7-[tetrahydro-2-methyl-5-(1-methylethyl)-2-furanyl]-

II.A-5, III-13, X-2

3966. 628-71-7 1 0 0 1-Heptyne H3C-(CH2)4-C≡CH I.B-1

3967. 2586-89-2 1 0 0 3-Heptyne H3C-(CH2)2-C≡C-CH2-CH3 I.B-1

3968. 630-01-3 1 1 1 Hexacosane H3C-(CH2)24-CH3 I.A-10

3969. 1561-02-0 1 1 1 Hexacosane, 2-methyl- (H3C)2=CH-(CH2)23-CH3 I.A-10

3970. 65820-56-6 0 1 0 Hexacosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)22-CH3 I.A-10

3971. 506-46-7 1 1 1 Hexacosanoic acid {cerotinic acid} H3C-(CH2)24-COOH IV.A-3

3972. 108657-23-4 1 1 1 Hexacosanoic acid, docosyl ester H3C-(CH2)24-COO-(CH2)21-CH3 V-3

3973. 1 1 1 Hexacosanoic acid, dodecyl ester H3C-(CH2)24-COO-(CH2)11-CH3 V-3

3974. 121877-83-6 1 1 1 Hexacosanoic acid, eicosyl ester H3C-(CH2)24-COO-(CH2)19-CH3 V-3

3975. 1 1 1 Hexacosanoic acid, ester with olean-12-en-3-ol,

(3β)- {β-amyrenyl hexacosanoate)

V3 1

3976. 121877-89-2 1 1 1 Hexacosanoic acid, heneicosyl ester H3C-(CH2)24-COO-(CH2)20-CH3 V-3

3977. 75696-56-9 1 1 1 Hexacosanoic acid, heptacosyl ester H3C-(CH2)24-COO-(CH2)26-CH3 V-3

3978. 1 1 1 Hexacosanoic acid, heptadecyl ester H3C-(CH2)24-COO-(CH2)16-CH3 V-3

3979. 1 1 1 Hexacosanoic acid, hexacosyl ester H3C-(CH2)24-COO-(CH2)25-CH3 V-3

3980. 1 1 1 Hexacosanoic acid, hexadecyl ester H3C-(CH2)24-COO-(CH2)15-CH3 V-3

3981. 1 1 1 Hexacosanoic acid, nonadecyl ester H3C-(CH2)24-COO-(CH2)18-CH3 V-3

3982. 1 1 1 Hexacosanoic acid, octadecyl ester H3C-(CH2)24-COO-(CH2)17-CH3 V-3

150


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Selected structures

Chapter

Table

3983. 1 1 1 Hexacosanoic acid, pentacosyl ester H3C-(CH2)24-COO-(CH2)24-CH3 V-3

3984. 1 1 1 Hexacosanoic acid, pentadecyl ester H3C-(CH2)24-COO-(CH2)14-CH3 V-3

3985. 1 1 1 Hexacosanoic acid, tetracosyl ester H3C-(CH2)24-COO-(CH2)23-CH3 V-3

3986. 1 1 1 Hexacosanoic acid, tetradecyl ester H3C-(CH2)24-COO-(CH2)193-CH3 V-3

3987. 121877-97-2 1 1 1 Hexacosanoic acid, tricosyl ester H3C-(CH2)24-COO-(CH2)22-CH3 V-3

3988. 1 1 1 Hexacosanoic acid, tridecyl ester H3C-(CH2)24-COO-(CH2)12-CH3 V-3

3989. 121877-92-7 1 1 1 Hexacosanoic acid, 24-methyl-, docosyl ester V-3

3990. 121877-90-5 1 1 1 Hexacosanoic acid, 24-methyl-, heneicosyl ester V-3

3991. 506-52-5 0 1 0 1-Hexacosanol H3C-(CH2)24-CH2OH II.A-5

3992. 63785-25-1 0 1 0 1-Hexacosanol, 24-methyl- II.A-5

3993. 0 1 0 1-Hexacosanol, 25-methyl- II.A-5

3994. 84808-91-9 1 0 0 Hexacosene I.B-1

3995. 18835-33-1 1 0 0 1-Hexacosene H2C=CH-(CH2)23-CH3 I.B-1

3996. 1 0 0 1-Hexacosene, 2-methyl- H2C=C(CH3)-(CH2)23-CH3 I.B-1

3997. 1 0 0 2-Hexacosene, (Z)- H3C-CH=CH-(CH2)22-CH3 I.B-1

3998. 1 0 0 2-Hexacosene, (E)- I.B-1

3999. 1 0 0 2-Hexacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)22-CH3 I.B-1

4000. 1 0 0 2-Hexacosene, 24-methyl-, (Z)- H3C-CH=CH-(CH2)20-CH(CH3)-CH2-CH3

I.B-1

4001. 1 0 0 2-Hexacosene, 24-methyl-, (E)- I.B-1

4002. 1 0 0 2-Hexacosene, 25-methyl-, (Z)- H3C-CH=CH-(CH2)21-CH(CH3)2 I.B-1

4003. 1 0 0 2-Hexacosene, 24-methyl-, (E)- I.B-1

4004. 30917-33-0 1 0 0 1,3-Hexadecadiene, 2,6,10,14-tetramethyl- H[CH2CH2CH(CH3)CH2] 3-CH=CH-C(CH3)=CH2 I.B-1

4005. 21980-71-2 1 0 0 1,3-Hexadecadiene, 3,7,11,15-tetramethyl-

{phytadiene}

H[CH2CH(CH3)CH2CH2] 3-CH=CH-C(CH3)=CH2 I.B-1

4006. 1 0 0 1,3-Hexadecadiene, 2,6,10-trimethyl- I.B-1

4007. 0 1 0 2,4-Hexadexadiene, 3,7,11,15-tetramethyl- I.B-1

4008. 25377-52-0 1 1 1 Hexadecadienoic acid {palmitolenic acid} IV.A-3

4009. 29961-54-4 0 1 0 Hexadecadienoic acid, methyl ester V-3

4010. 629-80-1 0 1 0 Hexadecanal H3C-(CH2)14-CH=O III-12

4011. 544-76-3 1 1 1 Hexadecane H3C-(CH2)14-CH3 I.A-10

4012. 1560-92-5 0 1 0 Hexadecane, 2-methyl- H3C-(CH2)13-CH=(CH3)2 I.A-10

4013. 0 1 0 Hexadecane, 3-methyl- H3C-(CH2)12-CH(CH3)-CH2-CH3 I.A-10

4014. 638-36-8 1 1 1 Hexadecane, 2,6,10,14-tetramethyl- {phytane} I.A-10

4015. 36232-38-9 1 0 0 Hexadecane, 2,6,10-trimethyl-14-methylene- I.B-1

4016. 60922-91-0 1 0 0 Hexadecane, mixt. with pentane I.A-10

4017. 505-54-4 0 1 0 Hexadecanedioic acid HOOC-(CH2)14-COOH IV.A-3

4018. 57-10-3 1 1 1 Hexadecanoic acid {palmitic acid} H3C-(CH2)14-COOH IV.A-3

4019. 42232-33-7 1 1 1 Hexadecanoic acid, docosyl ester H3C-(CH2)14-COO-(CH2)21-CH3 V-3

4020. 42232-29-1 1 1 1 Hexadecanoic acid, dodecyl ester H3C-(CH2)14-COO-(CH2)11-CH3 V-3

4021. 80252-38-6 1 1 1 Hexadecanoic acid, dotriacontyl ester H3C-(CH2)14-COO-(CH2)31-CH3 V-3

151


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4022. 22413-01-0 1 1 1 Hexadecanoic acid, eicosyl ester H3C-(CH2)14-COO-(CH2)19-CH3 V-3

4023. 628-97-7 1 1 1 Hexadecanoic acid, ethyl ester {ethyl palmitate} H3C-(CH2)14-COO-CH2-CH3 V-3

4024. 42232-32-6 1 1 1 Hexadecanoic acid, heneicosyl ester H3C-(CH2)14-COO-(CH2)20-CH3 V-3

4025. 94632-82-3 1 1 1 Hexadecanoic acid, heptacosyl ester H3C-(CH2)14-COO-(CH2)26-CH3 V-3

4026. 18466-06-3 1 1 1 Hexadecanoic acid, heptadecyl ester H3C-(CH2)14-COO-(CH2)16-CH3 V-3

4027. 60007-87-6 1 1 1 Hexadecanoic acid, hexacosyl ester H3C-(CH2)14-COO-(CH2)25-CH3 V-3

4028. 540-10-3 1 1 1 Hexadecanoic acid, hexadecyl ester H3C-(CH2)14-COO-(CH2)15-CH3 V-3

4029. 23470-00-0 1 0 0 Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester

H3C-(CH2)14-COO-CH=(CH2OH)2 V-3

4030. 28801-93-6 1 1 1 Hexadecanoic acid, methyl- IV.A-3

4031. 112-39-0 1 1 1 Hexadecanoic acid, methyl ester H3C-(CH2)14-COO-CH3 V-3

4032. 1 1 1 Hexadecanoic acid, (1-methylethyl) ester V-3

4033. 36617-44-4 1 1 1 Hexadecanoic acid, nonadecyl ester H3C-(CH2)14-COO-(CH2)18-CH3 V-3

4034. 78509-52-1 1 1 1 Hexadecanoic acid, octacosyl ester H3C-(CH2)14-COO-(CH2)27-CH3 V-3

4035. 2598-99-4 1 1 1 Hexadecanoic acid, octadecyl ester H3C-(CH2)14-COO-(CH2)17-CH3 V-3

4036. 94632-81-2 1 1 1 Hexadecanoic acid, pentacosyl ester H3C-(CH2)14-COO-(CH2)24-CH3 V-3

4037. 18299-77-9 1 1 1 Hexadecanoic acid, pentadecyl ester H3C-(CH2)14-COO-(CH2)14-CH3 V-3

4038. 42232-35-9 1 1 1 Hexadecanoic acid, tetracosyl ester H3C-(CH2)14-COO-(CH2)33-CH3 V-3

4039. 4536-26-9 1 1 1 Hexadecanoic acid, tetradecyl ester H3C-(CH2)14-COO-(CH2)13-CH3 V-3

4040. 84461-48-3 1 1 1 Hexadecanoic acid, tetratriacontyl ester H3C-(CH2)14-COO-(CH2)33-CH3 V-3

4041. 6027-71-0 1 1 1 Hexadecanoic acid, triacontyl ester H3C-(CH2)14-COO-(CH2)29-CH3 V-3

4042. 42232-34-8 1 1 1 Hexadecanoic acid, tricosyl ester H3C-(CH2)14-COO-(CH2)22-CH3 V-3

4043. 36617-38-6 1 1 1 Hexadecanoic acid, tridecyl ester H3C-(CH2)14-COO-(CH2)13-CH3 V-3

4044. 3233-90-7 0 1 0 Hexadecanoic acid, 10,16-dihydroxy- II.A-5, IV.A-3

4045. 5918-29-6 1 1 1 Hexadecanoic acid, 14-methyl- H3C-CH2-CH(CH3)-(CH2)12-COOH IV.A-3

4046. 121877-41-6 1 1 1 Hexadecanoic acid, 14-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)21-CH3

V-3

4047. 121877-33-6 1 1 1 Hexadecanoic acid, 14-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)20-CH3

V-3

4048. 121877-67-6 1 1 1 Hexadecanoic acid, 14-methyl-, heptacosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)26-CH3

V-3

4049. 121877-58-5 1 1 1 Hexadecanoic acid, 14-methyl-, hexacosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)25-CH3

V-3

4050. 2490-49-5 1 1 1 Hexadecanoic acid, 14-methyl-, methyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-CH3 V-3

4051. 121877-74-5 1 1 1 Hexadecanoic acid, 14-methyl-, octacosyl ester H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)27-CH3

V-3

4052. 1603-03-8 1 1 1 Hexadecanoic acid, 15-methyl- (H3C)2=CH-(CH2)13-COOH IV.A-3

4053. 121877-39-2 1 1 1 Hexadecanoic acid, 15-methyl-, docosyl ester (H3C)2=CH-(CH2)13-COO-(CH2)21-CH3 V-3

4054. 6929-04-0 0 1 0 Hexadecanoic acid, 15-methyl-, methyl ester (H3C)2=CH-(CH2)13-COO-CH3 V-3

4055. 506-13-8 0 1 0 Hexadecanoic acid, 16-hydroxy- HOCH2-(CH2)14-COOH IV.A-3

4056. 27147-71-3 0 1 0 Hexadecanoic acid, 2-methyl- H3C-(CH2)13-CH(CH3)-COOH IV.A-3

4057. 42172-35-0 0 1 0 Hexadecanoic acid, 3-methyl- H3C-(CH2)12-CH(CH3)-CH2-COOH IV.A-3

152


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Chapter

Table

4058. 71607-94-8 1 1 1 Hexadecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatria contanonaenyl ester

V-3

4059. 1118-77-0 0 1 0 Hexadecanoic acid, 3,7,11,15-tetramethyl-, methyl ester

V-3

4060. 53950-58-6 1 1 1 Hexadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

4061. 124-29-8 1 1 1 1-Hexadecanol H3C-(CH2)14-CH2OH II.A-5

4062. 2490-43-9 0 1 0 1-Hexadecanol, 14-methyl- II.A-5

4063. 645-72-7 1 1 1 1-Hexadecanol, 3,7,11,15-tetramethyl- {dihydrophytol}

II.A-5

CH2OH

H3C CH3

CH3

CH3

H3C

H[CH2-CH(CH3)-CH2-CH2]4-OH

4064. 60054-55-9 0 1 0 1-Hexadecanol, 7,11,15-trimethyl-3-methylene- II.A-5

4065. 18787-63-8 1 1 1 2-Hexadecanone H3C-(CH2)13-CO-CH3 III-13

4066. 34083-18-6 1 0 0 2,6,10,14-Hexadecatetraene, 2,6,10,14-tetramethyl- H-[CH2-C(CH3)=CH-CH2]4-H I.B-1

4067. 70901-63-2 0 1 0 1,6,10,14-Hexadecatetraene, 7,11,15-trimethyl-3-methylene-, (E,E)-

I.B-1

4068. 76540-54-0 0 1 0 1,6,10,14-Hexadecatetraene-3,9-diol, 3,7,11,15-tetramethyl-

II.A-5

4069. 76540-55-1 0 1 0 2,6,10,15-Hexadecatetraene-1,14-diol, 2,6,10,14-tetramethyl-, [S-(Z,E,E)]-

II.A-5

4070. 25377-56-4 0 1 0 Hexadecatrienoic acid IV.A-3

4071. 32839-24-0 0 1 0 Hexadecatrienoic acid, (Z,Z,Z)- IV.A-3

4072. 37822-81-4 0 1 0 Hexadecatrienoic acid, methyl ester V-3

4073. 26952-14-7 0 1 0 Hexadecene I.B-1

4074. 629-73-2 1 0 0 1-Hexadecene {1-cetene} H2C=CH-(CH2)13-CH3 I.B-1

4075. 1 0 0 1-Hexadecene, 2-methyl- H2C=C(CH3)-(CH2)13-CH3 I.B-1

4076. 71278-20-1 1 0 0 1-Hexadecene, 2,6,10-trimethyl- I.B-1

4077. 504-96-1 1 1 1 1-Hexadecene, 3-methylene-7,11,15-trimethyl-

{neophytadiene}

H2C=CH-C(=CH2)-CH2-{(CH2)2-CH(CH3)CH2}3-H I.B-1

4078. 0 1 0 1-Hexadecene, 3,7,11,15-tetramethyl- I.B-1

4079. 1 0 0 2-Hexadecene, (Z)- H3C-CH=CH-(CH2)12-CH3 I.B-1

4080. 1 0 0 2-Hexadecene, (E)- I.B-1

4081. 1 0 0 2-Hexadecene, 2-methyl- H3C-C(CH3)=CH-(CH2)12-CH3 I.B-1

4082. 1 0 0 2-Hexadecene, 14-methyl-, (Z)- H3C-CH=CH-(CH2)10-CH(CH3)-CH2-CH3

I.B-1

4083. 1 0 0 2-Hexadecene, 14-methyl-, (E)- I.B-1

4084. 1 0 0 2-Hexadecene, 15-methyl-, (Z)- H3C-CH=CH-(CH2)11-CH(CH3)2 I.B-1

4085. 1 0 0 2-Hexadecene, 15-methyl-, (E)- I.B-1

4086. 51806-25-8 0 1 0 4-Hexadecene, 3-methylene-7,11,15-trimethyl- H3C-CH2-C(=CH2)-CH=CH-CH2-CH(CH3)-CH2-{(CH2)2-CH(CH3)-CH2}2-H I.B-1

4087. 25447-95-4 1 1 1 Hexadecenoic acid IV.A-3

4088. 28039-99-8 0 1 0 Hexadecenoic acid, (Z)- IV.A-3

4089. 1686-10-8 0 1 0 3-Hexadecenoic acid, (E)- IV.A-3

153


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Chapter

Table

4090. 373-49-9 1 1 1 9-Hexadecenoic acid, (Z)- {palmitoleic acid} H3C-(CH2)7-CH=CH-(CH2)5-COOH IV.A-3

4091. 10030-73-6

2091-29-4

1 1 1 9-Hexadecenoic acid, (E)- {palmitelaidic acid} H3C-(CH2)7-CH=CH-(CH2)5-COOH IV.A-3

4092. 1120-25-8 0 1 0 9-Hexadecenoic acid, methyl ester, (Z)- H3C-(CH2)7-CH=CH-(CH2)5-COO-CH3 V-3

4093. 505-32-8 1 1 1 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl- {isophytol}

II.A-5

4094. 22104-83-2 0 1 0 2-Hexadecen-1-ol H3C-(CH2)12-CH=CH-CH2OH II.A-5

4095. 102608-53-7 0 1 0 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl- II.A-5

4096. 150-86-7 1 1 1 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- {phytol}

CH2OH

H3C CH3

CH3

CH3

H3C

II.A-5

4097. 60026-26-8 0 1 0 7-Hexadecen-6-one, 3,7,11,15-tetramethyl- III-13

4098. 80466-34-8 0 1 0 2,4-Hexadienal H3C-(CH=CH)2-CH=O III-12

4099. 142-83-6 1 1 1 2,4-Hexadienal, (E,E)- III-12

4100. 54612-24-7 1 0 0 Hexadiene, dimethyl- I.B-1

4101. 1 0 0 Hexadiene, methyl- I.B-1

4102. 1 0 0 1,3-Hexadiene, 3-ethyl-2,5-dimethyl- I.B-1

4103. 927-97-9 1 0 0 1,4-Hexadiene, 2,5-dimethyl- I.B-1

4104. 764-13-6 1 0 0 2,4-Hexadiene, 2,5-dimethyl- I.B-1

4105. 1 0 0 2,4-Hexadiene, 3,4-dimethyl- I.B-1

4106. 110-44-1 1 1 1 2,4-Hexadienoic acid, (E,E)- {sorbic acid} H3C-(CH=CH)2-COOH IV.A-3

4107. 590-00-1

24624-61-5

0 1 0 2,4-Hexadienoic acid, potassium salt H3C-(CH=CH)2-COOK XX-2

4108. 90-65-3 1 0 0 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo- III-13, IV.A-3, X-2

4109. 10420-90-3 1 0 0 1,3-Hexadien-5-yne HC≡C-CH=CH-CH=CH2 I.B-1

4110. 821-08-9 1 0 0 1,5-Hexadien-3-yne {divinylacetylene} H2C=CH-C≡C-CH=CH2 I.B-1

4111. 66-25-1 1 1 1 Hexanal {caproic aldehyde} H3C-(CH2)4-CH=O III-12

4112. 15303-46-5 0 1 0 Hexanal, 2-(1-methylethyl)-5-oxo- III-12, III-13

4113. 2363-84-0 1 0 0 Hexanal, 2-oxo- H3C-(CH2)3-CO-CH=O III-12, III-13

4114. 0 1 0 Hexanal, 4-oxo- H3C-CH2-CO-(CH2)2-CH=O III-12, III-13

4115. 628-02-4 1 0 0 Hexanamide H3C-(CH2)4-CO-NH2 XIII-1

4116. 111-26-2 1 1 1 1-Hexanamine H3C-(CH2)5-NH2 XII-2

4117. 28056-87-3 1 0 0 1-Hexanamine, 2-ethyl-N,N-dimethyl- XII-2

4118. 110-54-3 1 1 1 Hexane H3C-(CH2)4-CH3 I.A-10

4119. 33240-56-1 1 0 0 Hexane, 1-chloro-5-methyl- XVIII.B-3

4120. 28777-67-5 1 0 0 Hexane, dimethyl- I.A-10

4121. 1 0 0 Hexane, 2,4-dimethyl- I.A-10

4122. 592-13-2 1 0 0 Hexane, 2,5-dimethyl- I.A-10

4123. 50-70-4 1 1 1 Hexane, hexahydroxy- {sorbitol; glucitol} HOCH2-(CHOH)4-CH2OH II.A-5

154


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Chapter

Table

4124. 585-88-6 0 1 0 Hexane, hexahydroxy-, 4-O-β-D-glucopyranosyl-

{maltitol; 4-O-β-D-glucopyranosyl-D-glucitol} HO

OH

OH

HO O O

HO

OH OH OH

OH

II.A-5, X-2

4125. 0 1 0 Hexane, hexahydroxy-, 2,6-di-O-methyl- II.A-5, X-2

4126. 0 1 0 Hexane, hexahydroxy-, 2,3,6-tri-O-methyl- II.A-5, X-2

4127. 0 1 0 Hexane, hexahydroxy-, 2,3,4,6-tetra-O-methyl- II.A-5, X-2

4128. 589-34-4 1 0 0 Hexane, 3-methyl- I.A-10

4129. 1071-81-4 1 0 0 Hexane, 2,2,5,5-tetramethyl- (H3C)3≡C-(CH2)2-C≡(CH3)3 I.A-10

4130. 124-04-9 1 0 0 Hexanedioic acid {adipic acid} HOOC-(CH2)4-COOH IV.A-3

4131. 542-32-5 0 1 0 Hexanedioic acid, 2-amino- IV.A-3, XII-2

4132. 123-79-5 1 0 0 Hexanedioic acid, dioctyl ester V-3

4133. 103-23-1 1 0 0 Hexanedioic acid, bis(2-ethylhexyl) ester V-3

4134. 3184-35-8 1 1 1 Hexanedioic acid, 2-oxo- III-13, IV.A-3

4135. 77289-00-0 0 1 0 1,5-Hexanediol, 2-(1-methylethyl)-, [S-(R*,R*)]- II.A-5

4136. 2935-44-6 1 1 1 2,5-Hexanediol H3C-CHOH (CH2)2-CHOH-CH3 II.A-5

4137. 29044-06-2 0 1 0 2,5-Hexanediol, 2-methyl- II.A-5

4138. 3848-24-6 1 0 0 2,3-Hexanedione H3C-CO-CO-(CH2)3-CH3 III-13

4139. 110-13-4 1 1 1 2,5-Hexanedione {acetonylacetone} III-13

4140. 1 0 0 2,5-Hexanedione, 3-hydroxy- III-13

4141. 4437-50-7 1 0 0 2,5-Hexanedione, 3-methyl- III-13

4142. 1 0 0 3,4-Hexanedione H3C-CH2-CO-CO-CH2-CH3 III-13

4143. 1 0 0 3,4-Hexanedione, 2-methyl- III-13

4144. 628-73-9 1 0 0 Hexanenitrile {capronitrile} H3C-(CH2)4-CN XI-1

4145. 64350-07-8 1 0 0 Hexanenitrile, 2-hydroxy- II.A-5, XI-1

4146. 111-31-9 1 0 0 1-Hexanethiol H3C-(CH2)5-SH XVIII.A-1

4147. 18990-98-2 1 0 0 1,3,6-Hexanetriol II.A-5

4148. 142-62-1 1 1 1 Hexanoic acid {caproic acid} H3C-(CH2)4-COOH IV.A-3, XXI-3

4149. 60308-81-8 0 1 0 Hexanoic acid, 4,5-dimethyl- IV.A-3

4150. 123-66-0 1 1 1 Hexanoic acid, ethyl ester {ethyl caproate} H3C-(CH2)4-COO-C2H5 V-3

4151. 1 1 1 Hexanoic acid, 2,6-di-(methylnitrosamino)- R-(CH2)4-CH(R)-COOH where

R = H3C-N(NO)- IV.A-3, XV-8

4152. 149-57-5 1 1 1 Hexanoic acid, 2-ethyl- IV.A-3

4153. 1 0 0 Hexanoic acid, hydroxy- II.A-5, IV.A-3

4154. 6064-63-7 0 1 0 Hexanoic acid, 2-hydroxy- II.A-5, IV.A-3

4155. 1191-25-9 1 0 0 Hexanoic acid, 6-hydroxy- II.A-5, IV.A-3

4156. 40309-49-7 0 1 0 Hexanoic acid, 3-hydroxy-5-methyl- II.A-5, IV.A-3

4157. 0 1 0 Hexanoic acid, cis-3-hexenyl ester V-3

4158. 106-70-7 0 1 0 Hexanoic acid, methyl ester H3C-(CH2)4-COO-CH3 V-3

4159. 4536-23-6 1 1 1 Hexanoic acid, 2-methyl- {2-methylhexanoic acid} IV.A-3

4160. 3780-58-3 0 1 0 Hexanoic acid, 3-methyl- IV.A-3

155


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Chapter

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4163. 30414-55-2 0 1 0 Hexanoic acid, 5-methyl-3-oxo-, methyl ester III-13, V-3

4164. 41654-04-0 0 1 0 Hexanoic acid, 5-methyl-4-oxo- III-13, IV.A-3

4165. 2543-54-6 0 1 0 Hexanoic acid, 2-(1-methylethyl)-5-oxo- III-13, IV.A-3

4166. 16825-90-4 1 0 0 Hexanoic acid, 2-(1-methylethyl)-5-oxo-, (S)- III-13, IV.A-3

4167. 1842-56-4 0 1 0 Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester

III-13, V-3

4168. 1117-74-4 1 1 1 Hexanoic acid, 4-oxo- III-13, IV.A-3

4169. 3128-06-1 1 0 0 Hexanoic acid, 5-oxo- III-13, IV.A-3

4170. 540-07-8 0 1 0 Hexanoic acid, pentyl ester H3C-(CH2)4-COO-(CH2)4-C H3 V-3

4171. 6290-37-5 0 1 0 Hexanoic acid, 2-phenylethyl ester V-3

4172. 6938-45-0 0 1 0 Hexanoic acid, phenylmethyl ester V-3

4173. 2051-49-2 0 1 0 Hexanoic anhydride VII-1

4174. 25917-35-5 1 1 1 Hexanol II.A-5

4175. 111-27-3 1 1 1 1-Hexanol {caproyl alcohol} H3C-(CH2)4-CH2OH II.A-5, XXI-3

4176. 104-76-7 1 1 1 1-Hexanol, 2-ethyl- H3C-(CH2)3-CH(C2H5)-CH2OH II.A-5

4177. 61949-26-6 1 0 0 1-Hexanol, methyl- II.A-5

4178. 818-49-5 0 1 0 1-Hexanol, 4-methyl- II.A-5

4179. 627-98-5 0 1 0 1-Hexanol, 5-methyl- (H3C)2=CH-(CH2)3-CH2OH II.A-5

4180. 626-93-7 1 1 1 2-Hexanol H3C-(CH2)3-CHOH-CH3 II.A-5

4181. 0 1 0 2-Hexanol, 2-cyclohexanyl- II.A-5

4182. 623-37-0 1 1 1 3-Hexanol II.A-5

4183. 2180-43-0 1 0 0 3-Hexanol, 1-phenyl- II.A-5

4184. 1 0 0 4-Hexanol, 1-phenyl- II.A-5

4185. 14360-50-0 1 0 0 1-Hexanone, 1-(2-furanyl)- III-13, X-2

4186. 591-78-6 1 1 1 2-Hexanone {butyl methyl ketone} H3C-(CH2)3-CO-CH3 III-13

4187. 72693-13-1 1 0 0 2-Hexanone, 5,6-dihydroxy- II.A-5, III-13

4188. 56745-61-0 1 0 0 2-Hexanone, 5-hydroxy- II.A-5, III-13

4189. 68208-73-1 1 0 0 2-Hexanone, 6-hydroxy-5-methyl- II.A-5, III-13

4190. 589-38-8 1 1 1 3-Hexanone {ethyl propyl ketone} III-13

4191. 71278-21-2 1 1 1 1,3,6,10,14,18,22,26,30,34-Hexatriacontadecaene, 3,7,11,15,19,23,27,31,35-nonamethyl-

{solanesene}

I.B-1

4192. 630-06-8 1 1 1 Hexatriacontane H3C-(CH2)34-CH3 I.A-10

4193. 71278-22-3 1 0 0 1,6,10,14,18,22,26,30,34-Hexatriacontanonaene, 7,11,15,19,23,27,31,35-octamethyl-3-methylene-

I.B-1

4194. 66327-99-9 1 0 0 2,6,10,14,18,22,26,30,34-Hexatriacontanonaene, 2,6,10,14,18,22,26,30,34-nonamethyl-, (all-E)-

I.B-1

4195. 60924-87-0 0 1 0 2,6,10,14,18,22,26,30,35-Hexatriacontanonaene-1,34-diol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-

II.A-5

156


CAS No.

S

T

S

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Selected structures

Chapter

Table

4196. 60924-86-9 0 1 0 2,6,10,14,18,22,26,30,33-Hexatriacontanonaene-1,35-diol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-

II.A-5

4197. 101330-76-1 0 1 0 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, labeled with

14C, (Z,Z,Z)-

II.A-5

4198. 13190-97-1 1 1 1 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E)-

{solanesol}

H-[CH2-CH(CH3)-CH2-CH2]9-OH II.A-5

4199. 29144-38-5 1 1 1 2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, acetate, stereoisomer {solanesyl acetate}

V-3

4200. 2235-12-3 1 0 0 1,3,5-Hexatriene H2C=CH-CH=CH-CH=CH2 I.B-1

4201. 1 0 0 1,3,5-Hexatriene, 2-methyl- I.B-1

4202. 1 0 0 1,3,5-Hexatriene, 3-methyl- I.B-1

4203. 1335-39-3 0 1 0 Hexenal III-12

4204. 505-57-7 1 1 1 2-Hexenal H3C-(CH2)2-CH=CH-CH=O III-12

4205. 6728-26-3 1 1 1 2-Hexenal, (E)- III-12

4206. 16635-54-4 1 1 1 2-Hexenal, (Z)- III-12

4207. 1 0 0 2-Hexenal, 2,5-dimethyl- III-12

4208. 28467-88-1 1 0 0 2-Hexenal, 2-methyl- H3C-(CH2)2-CH=C(CH3)-CH=O III-12

4209. 1 0 0 2-Hexenal, 5-methyl- III-12

4210. 21834-92-4 0 1 0 2-Hexenal, 5-methyl-2-phenyl- III-12

4211. 25264-93-1 1 0 0 Hexene H-(CH2)n-CH=CH-(CH2)(4-n)-H I.B-1

4212. 1 0 0 Hexene, diamino XII-2

4213. 592-41-6 1 0 0 1-Hexene H3C-(CH2)3-CH=CH2 I.B-1

4214. 3524-73-0 1 0 0 1-Hexene, 5-methyl- (H3C)2=CH-(CH2)2-CH=CH2 I.B-1

4215. 4050-45-7 1 0 0 2-Hexene, (E)- H3C-(CH2)2-CH=CH-CH3 I.B-1

4216. 7688-21-3 1 0 0 2-Hexene, (Z)- I.B-1

4217. 3404-78-2 1 0 0 2-Hexene, 2,5-dimethyl- H3C-CH(CH3)-CH2-CH=C(CH3)-CH3 I.B-1

4218. 2738-19-4 1 0 0 2-Hexene, 2-methyl- H3C-(CH2)2-CH=C(CH3)-CH3 I.B-1

4219. 3404-62-4 1 0 0 2-Hexene, 5-methyl- H3C-CH(CH3)-CH2-CH=CH-CH3 I.B-1

4220. 592-47-2 1 0 0 3-Hexene H3C-CH2-CH=CH-CH2-CH3 I.B-1

4221. 13269-52-8 1 1 1 3-Hexene, (E)- I.B-1

4222. 7642-09-3 1 0 0 3-Hexene, (Z)- I.B-1

4223. 4436-75-3 0 1 0 3-Hexene, 2,5-dione III-13

4224. 1289-40-3 1 0 0 Hexenoic acid IV.A-3

4225. 1191-04-4 0 1 0 2-Hexenoic acid H3C-(CH2)2-CH=CH-COOH IV.A-3

4226. 5309-52-4 0 1 0 2-Hexenoic acid, 2-ethyl- IV.A-3

4227. 41653-96-7 0 1 0 2-Hexenoic acid, 5-methyl- (H3C)2=CH-CH2-CH=CH-COOH IV.A-3

4228. 51424-01-2 0 1 0 2-Hexenoic acid, 5-methyl-, (E)- IV.A-3

4229. 4219-24-3 1 1 1 3-Hexenoic acid {hydrosorbic acid} H3C-CH2-CH=CH-CH2-COOH IV.A-3

4230. 1775-43-5 0 1 0 3-Hexenoic acid, (Z)- IV.A-3

4231. 2396-78-3 0 1 0 3-Hexenoic acid, methyl ester H3C-CH2-CH=CH-CH2-COO-CH3 V-3

157


CAS No.

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T

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Selected structures

Chapter

Table

4232. 35194-36-6 1 1 1 4-Hexenoic acid H3C-CH=CH-(CH2)2-COOH IV.A-3

4233. 1577-20-4 1 1 1 4-Hexenoic acid, (E)- IV.A-3

4234. 5636-65-7 0 1 0 4-Hexenoic acid, 5-methyl- IV.A-3

4235. 1577-22-6 0 1 0 5-Hexenoic acid IV.A-3

4236. 928-95-0 0 1 0 2-Hexen-1-ol H3C-(CH2)2-CH=CH-CH2OH II.A-5

4237. 2305-21-7 0 1 0 2-Hexen-1-ol, (E)- II.A-5

4238. 2497-18-9 0 1 0 2-Hexen-1-ol, acetate, (E)- V-3

4239. 544-12-7 0 1 0 3-Hexen-1-ol II.A-5

4240. 928-97-2 0 1 0 3-Hexen-1-ol, (E)- II.A-5

4241. 928-96-1 1 1 1 3-Hexen-1-ol, (Z)- {leaf alcohol} II.A-5

4242. 1 1 1 3-Hexen-1-ol, (Z)- , labeled with 14

C {leaf alcohol-

14C}

XXV-29

4243. 1708-82-3 0 1 0 3-Hexen-1-ol, acetate V-3

4244. 3681-71-8 0 1 0 3-Hexen-1-ol, acetate, (Z)- V-3

4245. 25152-85-6 0 1 0 3-Hexen-1-ol, benzoate, (Z)- V-3

4246. 2315-09-5 0 1 0 3-Hexen-1-ol, formate V-3

4247. 33467-73-1 0 1 0 3-Hexen-1-ol, formate, (Z)- V-3

4248. 763-93-9 1 0 0 3-Hexen-2-one III-13

4249. 5166-53-0 1 1 1 3-Hexen-2-one, 5-methyl- III-13

4250. 1821-29-0 0 1 0 3-Hexen-2-one, 5-methyl-, (E)- III-13

4251. 109-49-9 1 1 1 5-Hexen-2-one H2C=CH-(CH2)2-CO-CH3 III-13

4252. 55615-04-8 0 1 0 5-Hexen-2-one, 4,5-dimethyl- III-13

4253. 0 1 0 4-Hexen-3-one, 4,5-dimethyl- III-13

4254. 121197-12-4 1 0 0 5-Hexen-3-one, 4,5-dihydroxy- II.A-5, III-13

4255. 33124-69-5 0 1 0 threo-2,3-Hexodiulosonic acid, γ-lactone VI-3

4256. 490-83-5 0 1 0 L-threo-2,3-Hexodiulosonic acid, γ-lactone VI-3

4257. 61989-59-1 1 0 0 Hexonic acid, 2,3-dideoxy-, γ-lactone, monoacetate V-3, VI-3

4258. 61892-51-1 1 0 0 Hexonic acid, 3,6-dideoxy-, γ-lactone VI-3

4259. 61653-41-6 0 1 0 D-lyxo-Hexonic acid, 2-deoxy-, γ-lactone VI-3

4260. 45009-62-9 0 1 0 Hexoses II.A-5, VIII-3

4261. 62446-36-0 0 1 0 Hexouronic acid

4262. 26856-30-4 1 0 0 Hexyne H-(CH2)n-C≡C-(CH2)(4-n)-H I.B-1

4263. 693-02-7 1 0 0 1-Hexyne HC≡C-(CH2)3-CH3 I.B-1

4264. 2203-80-7 1 0 0 1-Hexyne, 5-methyl- HC≡C-(CH2)2-CH(CH3)2 I.B-1

4265. 764-35-2 1 0 0 2-Hexyne H3C-C≡C-(CH2)2-CH3 I.B-1

4266. 53566-37-3 1 0 0 2-Hexyne, 5-methyl- H3C-C≡C-CH2-CH(CH3)2 I.B-1

4267. 928-49-4 1 0 0 3-Hexyne H3C-CH2-C≡C-CH2-CH3 I.B-1

4268. 7006-35-1 0 1 0 Histidine IV.A-3, IV.B-7, XII-2, XVII.A-4

4269. 71-00-1 0 1 0 L-Histidine IV.A-3, IV.B-7, XII-2, XVII.A-4

HN

N

NH2

COOH

158


CAS No.

S

T

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T


Selected structures

Chapter

Table

4270. 332-80-9 1 1 1 L-Histidine, 1-methyl- IV.A-3, IV.B-7, XII-2, XVII.A-4

4271. 1 1 1 L-Histidine, 3-methyl- IV.A-3, IV.B-7, XII-2, XVII.A-4

4272. 62504-27-2 0 1 0 L-Histidine, N-(1-carboxyethyl)-, (R)- IV.A-3, IV.B-7, XII-2, XVII.A-4

4273. 7440-60-0 1 1 1 Holmium Ho XX-5

4274. 8064-26-4 0 1 0 Holocellulose VIII-3

4275. 454-29-5 0 1 0 DL-Homocysteine HS-(CH2)2-CH(NH2)-COOH


4276. 498-19-1

672-15-1

1 1 1 Homoserine {2-amino-4-hydroxybutanoic acid} HO-(CH2)2-CH(NH2)-COOH

II.A-5, IV.A-3, IV.B-7, XII-2, XVIII.A-1

4277. 1415-93-6 0 1 0 Humic acids IV.A-3

4278. 9024-25-3 0 1 0 Hydratase, aconitate XXII-2

4279. 9032-88-6 0 1 0 Hydratase, fumarate XXII-2

4280. 9014-08-8 0 1 0 Hydratase, phosphopyruvate XXII-2

4281. 302-01-2 1 1 1 Hydrazine H2N-NH2 XII-2

4282. 57-14-7 1 1 1 Hydrazine, 1,1-dimethyl- H2N-N(CH3)2 XII-2

4283. 624-80-6 1 0 0 Hydrazine, ethyl- H2N-NH-CH2-CH3 XII-2

4284. 60-34-4 1 0 0 Hydrazine, methyl- H2N-NH-CH3 XII-2

4285. 74-90-8 1 1 1 Hydrocyanic acid {hydrogen cyanide} HCN XI-2, XXI-3

4286. 1333-74-0 1 0 0 Hydrogen H2 XIX-5

4287. 7722-84-1 1 0 0 Hydrogen peroxide H2O2 XXVII

4288. 1 0 0 Hydrogen peroxyl radical OOH XXVII-1

4289. 7783-06-4 1 0 0 Hydrogen sulfide H2S XVIII.A-1

4290. 9027-05-8 0 1 0 Hydrogenase XXII-2

4291. 9027-41-2 0 1 0 Hydrolase XXII-2

4292. 0 1 0 Hydropectin VIII-3

4293. 1 0 0 Hydroquinone/semiquinone/quinone free radical XXVII-1

4294. 3352-57-6 1 0 0 Hydroxide free radical XXVII-1

4295. 120598-69-8 0 1 0 Hydroxycinnamoyltransferase, putrescine XXII-2

4296. 0 1 0 Hydroxycinnamoyltransferase, quinate XXII-2

4297. 73904-44-6 0 1 0 Hydroxycinnamoyltransferase, shikimate XXII-2

4298. 128909-19-3 0 1 0 Hydroxycinnamoyltransferase, tyramine XXII-2

4299. 60321-02-0 0 1 0 Hydroxycinnamyl-CoA:quinate hydroxycinnamyl transferase, quinate

XXII-2

4300. 7803-49-8 0 1 0 Hydroxylamine HO-NH2 XII-2

4301. 0 1 0 Hydroxylase, cinnamete XXII-2

4302. 0 1 0 Hydroxylase, glycine XXII-2

4303. 9029-83-8 0 1 0 Hydroxymethyltransferase, serine XXII-2

4304. 105827-78-9 0 1 0 1H-Imidazol-2-amine, ((6-chloro-3-pyridinyl)methyl)-4,5-dihydro-N-nitro- {Admire®}

N

NH-NO2

NN

Cl

XVII.B-4, XXI-3

159


CAS No.

S

T

S

T


Selected structures

Chapter

Table

4305. 288-32-4 1 1 1 1H-Imidazole {1,3-diazole} NH

N

12

34

5

XVII.A-4

4306. 2466-76-4 0 1 0 1H-Imidazole, 1-acetyl- XVII.A-4

4307. 1 0 0 1H-Imidazole, C3-alkyl- {3 isomers detected} XVII.A-4



4310. 1 0 0 1H-Imidazole, butyl- XVII.A-4

4311. 1 0 0 1H-Imidazole, 2-butyl- XVII.A-4

4312. 0 1 0 1H-Imidazole, 4,5-dihydro-2-ethyl-4-methyl- XVII.A-4

4313. 1739-84-0 1 0 0 1H-Imidazole, 1,2-dimethyl- XVII.A-4





4318. 37455-73-5 1 0 0 1H-Imidazole, 1,4-dimethyl-2-(1-methylethyl)- XVII.A-4

4319. 40688-28-6 1 0 0 1H-Imidazole, 2,4-dimethyl-5-(1-methylethyl)- XVII.A-4

4320. 1 0 0 1H-Imidazole, 2,5-dimethyl-4-(1-methylethyl)- XVII.A-4

4321. 1131-16-4 1 0 0 1H-Imidazole, 1,4-dimethyl-5-phenyl- XVII.A-4

4322. 51-45-6 0 1 0 1H-Imidazole-4-ethanamine NH

N

12

3

5

CH2CH2-NH2

XII-2,

XVII.A-4

4323. 1 0 0 1H-Imidazole, ethyl- XVII.A-4

4324. 7098-07-9 1 0 0 1H-Imidazole, 1-ethyl- XVII.A-4



4327. 21202-52-8 1 0 0 1H-Imidazole, 1-ethyl-2-methyl- XVII.A-4



4330. 37455-59-7 1 0 0 1H-Imidazole, 4-ethyl-2-(1-methylethyl)- XVII.A-4

4331. 37455-56-4 1 0 0 1H-Imidazole, 4-ethyl-2-propyl- XVII.A-4

4332. 1 0 0 1H-Imidazole, methyl- XVII.A-4

4333. 616-47-7 1 0 0 1H-Imidazole, 1-methyl- XVII.A-4



4336. 36947-68-9 1 0 0 1H-Imidazole, 2-(1-methylethyl)- XVII.A-4

4337. 58650-48-9 1 0 0 1H-Imidazole, 4-(1-methylethyl)- XVII.A-4

4338. 22509-02-0 1 0 0 1H-Imidazole, 1-methyl-2-(1-methylethyl)- XVII.A-4



4341. 61893-07-0 1 0 0 1H-Imidazole, 4-methyl-2-(1-methylpropyl)- XVII.A-4

160


CAS No.

S

T

S

T


Selected structures

Chapter

Table

4342. 61893-06-9 1 0 0 1H-Imidazole, 2-(1-methylpropyl)- XVII.A-4

4343. 61893-08-1 1 0 0 1H-Imidazole, 4-(2-methylpropyl)- XVII.A-4

4344. 1 0 0 1H-Imidazole, pentyl- XVII.A-4

4345. 91491-09-7 1 0 0 1H-Imidazole, propyl- XVII.A-4

4346. 1842-63-3 1 0 0 1H-Imidazole, 1,2,4-trimethyl- XVII.A-4



4349. 36734-19-7 0 1 0 1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)-2,4-dioxo- {Iprodione®}

XIII-1, XIV-1, XVII.A-4, XVIII.B-3, XXI-3 ClO

O Cl

NN

O

N

4350. 461-72-3 1 0 0 2,4-Imidazolidinedione {hydantoin} NH

NH

O

O

XIV-1, XVII.A-4

4351. 61893-10-5 1 0 0 2,4-Imidazolidinedione, 1-(1-methylethyl)- XIV-1, XVII.A-4

4352. 17374-27-5 1 0 0 2,4-Imidazolidinedione, 1,5-dimethyl- XIV-1, XVII.A-4

4353. 61893-09-2 1 0 0 2,4-Imidazolidinedione, 1-ethyl- XIV-1, XVII.A-4

4354. 16935-34-5 1 0 0 2,4-Imidazolidinedione, 5-(1-methylethyl)- XIV-1, XVII.A-4

4355. 15414-82-1 1 0 0 2,4-Imidazolidinedione, 5-ethyl- XIV-1, XVII.A-4

4356. 616-03-5 1 1 1 2,4-Imidazolidinedione, 5-methyl- XIV-1, XVII.A-4

4357. 96-45-7 1 0 0 2-Imidazolidinethione {ethylenethiourea} XVII.A-4

4358. 138261-41-3 1 1 1 Imidazolidinimine, 1-((6-chloro-3-pyridinyl)methyl)-N-nitro- {Imidacloprid®}

XVII.A-4,

XVIII.B-3,

XXI-3

4359. 61892-75-9 1 0 0 4H-Imidazol-4-one, 1,5-dihydro-1-methyl- XVII.A-4

4360. 60-27-5 0 1 0 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-

{creatinine}

N N

O

CH3

NH2

31

2

4

5

XII-2, XVII.A-4

4361. 274-76-0 1 0 0 Imidazo[1,2-a]pyridine

NN1

23

XVII.E-6

4362. 1 0 0 Imidazo[1,2-a]pyridine, C2-alkyl- XVII.E-6

4363. 875-80-9 1 0 0 Imidazo[1,2-a]pyridine, 2,3-dimethyl- XVII.E-6

4364. 105650-23-5 1 0 0 1H-Imidazo[4,5-b]pyridin-2-amine, 1-methyl-6-phenyl- {PhIP}

NN

N

NH2

CH3

12

345

6

XVII.F-8

4365. 1 0 0 1H-Imidazo[4,5-b]pyridine, methyl- XVII.E-6

161


CAS No.

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T

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T


Selected structures

Chapter

Table

4366. 68175-07-5 1 0 0 1H-Imidazo[4,5-b]pyridine, 2-methyl- N

NH

N

12

3

45

67

XVII.E-6

4367. 27582-20-3 1 0 0 1H-Imidazo[4,5-b]pyridine, 7-methyl- XVII.E-6

4368. 120293-52-9 0 1 0 1H-Imidazo[4,5-c]pyridine-4-propanoic acid, 4,6-dicarboxy-4,5,6,7-tetrahydro-, (4R-cis)-

IV.A-3

4369. 77094-11-2 1 0 0 3H-Imidazo[4,5-f]quinolin-2-amine, 3,4-dimethyl- {MeIQ}

NH2

CH3

N

N

N1 2

3

CH3

XVII.F-8

4370. 76180-96-6 1 0 0 3H-Imidazo[4,5-f]quinolin-2-amine, 3-methyl- {IQ}

NH2

CH3

N

N

N1 2

3

4

XVII.F-8

4371. 271-44-3 1 0 0 1H-Indazole NH

N

12

3

XVII.E-6

4372. 34879-87-3 0 1 0 1H-Indazole, 1,6-dimethyl- XVII.E-6

4373. 95-13-6 1 0 0 1H-Indene 1

2

34

5

6

7

I.E-6

4374. 71278-05-2 1 0 0 1H-Indene, diethyl- I.E-6

4375. 496-11-7 1 0 0 1H-Indene, 2,3-dihydro- {indane} 1

2

34

5

6

7

I.E-6

4376. 53563-67-0 1 0 0 1H-Indene, 2,3-dihydrodimethyl- {4 isomers detected}

I.E-6

4377. 17057-82-8 1 0 0 1H-Indene, 2,3-dihydro-1,2-dimethyl- I.E-6

4378. 71278-02-9 1 0 0 1H-Indene, 2,3-dihydroethyl- I.E-6

4379. 27133-93-3 1 0 0 1H-Indene, 2,3-dihydromethyl- {4 isomers detected}

I.E-6

4380. 767-58-8 1 0 0 1H-Indene, 2,3-dihydro-1-methyl- I.E-6




4384. 16204-57-2 0 1 0 1H-Indene, 2,3-dihydro 1,1,4,5-tetramethyl- I.E-6

4385. 942-43-8 0 1 0 1H-Indene, 2,3-dihydro 1,1,5,6-tetramethyl- I.E-6

4386. 36541-18-1 1 0 0 1H-Indene, 2,3-dihydrotrimethyl- I.E-6

4387. 29348-63-8 1 0 0 1H-Indene, dimethyl- I.E-6

162


CAS No.

S

T

S

T


Selected structures

Chapter

Table

4388. 71278-06-3 1 0 0 1H-Indene, dimethylethyl- I.E-6

4389. 1 0 0 1H-Indene, 5,6-dimethyl-2-phenyl- I.E-6

4390. 1 0 0 1H-Indene, 2-(3’,4’-dimethylphenyl)- I.E-6

4391. 58924-35-9 1 0 0 1H-Indene, ethyl- I.E-6

4392. 1 0 0 1H-Indene, ethylmethyl- I.E-6

4393. 71278-07-4 1 0 0 1H-Indene, ethylpentamethyl- I.E-6

4394. 1 0 0 1H-Indene, heptamethyl- I.E-6

4395. 71278-08-5 1 0 0 1H-Indene, hexamethyl- I.E-6

4396. 29036-25-7 1 0 0 1H-Indene, methyl- {at least 3 isomers are present in MSS}

I.E-6

4397. 767-59-9 1 0 0 1H-Indene, 1-methyl- I.E-6



4400. 2471-84-3 1 0 0 1H-Indene, 1-methylene- I.E-6

4401. 6596-86-7 1 0 0 2H-Indene, 2-methylene- {benzofulvene}

I.E-6

4402. 1 0 0 1H-Indene, 4-methyl-2-(2’-methylphenyl)- I.E-6

4403. 1 0 0 1H-Indene, 5-methyl-2-(4-methylphenyl)- I.E-6

4404. 1 0 0 1H-Indene, 6-methyl-2-(4-methylphenyl)- I.E-6

4405. 1 0 0 1H-Indene, 7-methyl-2-(2’-methylphenyl)- I.E-6

4406. 1 0 0 1H-Indene, 7-(4’-methylphenyl)- I.E-6

4407. 71278-09-6 1 0 0 1H-Indene, pentamethyl- I.E-6

4408. 38638-41-4 1 0 0 1H-Indene, phenyl- I.E-6

4409. 1 0 0 1H-Indene, 2-phenyl- I.E-6

4410. 1 0 0 1H-Indene, phenyltrimethyl- I.E-6

4411. 27135-78-0 1 0 0 1H-Indene, tetramethyl-

{at least 4 isomers present in MSS}

I.E-6

4412. 60826-61-1 1 0 0 1H-Indene, trimethyl-


I.E-6

4413. 37414-44-1 1 0 0 1H-Indene-2-carboxaldehyde, 2,3-dihydro- III-12

4414. 30084-91-4 1 0 0 1H-Indene-5-carboxaldehyde, 2,3-dihydro- III-12

4415. 606-23-5 1 0 0 1H-Indene-1,3(2H)-dione III-13

4416. 668-30-4 1 0 0 Indeno[1,2,3,4-defg]chrysene

{also known as indeno[3,2,1,7-defg]chrysene; dibenzo[b,mno]fluoranthene; naphtho[1,2,3,4-ghi]fluoranthene}

I.E-6

4417. 71277-94-6 1 0 0 Indeno[1,2,3,4-defg]chrysene, methyl- {indeno[3,2,1,7-defg]chrysene, methyl-; dibenzo[b,mno]fluoranthene, methyl-; naphtho[1,2,3,4-ghi]fluoranthene, methyl-}

I.E-6

163


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Selected structures

Chapter

Table

4418. 193-43-1 1 0 0 Indeno[1,2,3-cd]fluoranthene

I.E-6

4419. 41699-07-4 1 0 0 Indeno[1,2,3-cd]fluoranthene, methyl- I.E-6

4420. 206-56-4 1 0 0 Indeno[1,2,3-ij]isoquinoline

{1-azafluoranthene}

N

XVII.E-6

4421. 1 0 0 Indeno[1,2,3-ij]isoquinoline, dimethyl- XVII.E-6

4422. 1 0 0 Indeno[1,2,3-ij]isoquinoline, methyl- XVII.E-6

4423. 56631-57-3 1 0 0 1H-Indenol [1H-Inden-4-ol] OH

1

2

35

6

7

IX.A-22

4424. 72692-86-5 1 0 0 1H-Indenol, 2,3-dihydromethyl-

[1H-Inden-4-ol, 2,3-dihydromethyl-]

IX.A-22

4425. 73850-11-0 1 0 0 1H-Indenol, dimethyl-

[1H-Inden-4-ol, dimethyl-

IX.A-22

4426. 73850-20-1 1 0 0 1H-Indenol, ethylmethyl-

[1H-Inden-4-ol, ethylmethyl-]

IX.A-22

4427. 1 0 0 1H-Indenol, methyl-

[1H-Inden-4-ol, methyl-]

IX.A-22

4428. 73850-09-6 1 0 0 1H-Indenol, tetramethyl-

[1H-Inden-4-ol, tetramethyl-]

IX.A-22

4429. 73850-10-9 1 0 0 1H-Indenol, trimethyl-

[1H-Inden-4-ol, trimethyl-]

IX.A-22

4430. 1641-41-4 1 0 0 1H-Indenol, 2,3-dihydro-

[1H-Inden-4-ol, 2,3-dihydro-]

IX.A-22

4431. 1470-94-6 1 0 0 1H-Inden-5-ol, 2,3-dihydro- IX.A-22

4432. 30286-23-8 1 0 0 Indenone, dihydro- III-13

4433. 72692-87-6 1 0 0 Indenone, 1,3(or 2,3)-dihydrodimethyl- III-13

4434. 480-90-0 1 0 0 1H-Inden-1-one III-13

4435. 83-33-0 1 0 0 1H-Inden-1-one, 2,3-dihydro-

{1-indanone}

O

1

2

3

4

5

6

7

III-13

4436. 71278-03-0 1 0 0 1H-Inden-1-one, 2,3-dihydrodimethyl- {6 isomers detected}

III-13

4437. 66309-83-9 1 0 0 1H-Inden-1-one, 2,3-dihydro-2,6-dimethyl- III-13



4440. 71278-04-1 1 0 0 1H-Inden-1-one, 2,3-dihydro-ethyl- III-13

4441. 57878-30-5 0 1 0 1H-Inden-1-one, 2,3-dihydro-5-hydroxy-3-methyl- III-13

164


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Selected structures

Chapter

Table

4442. 72692-69-4 1 0 0 1H-Inden-1-one, 2,3-dihydro(methoxymethyl)- III-13

4443. 65436-86-4 1 0 0 1H-Inden-1-one, 2,3-dihydromethyl- {4 isomers detected}

III-13

4444. 17496-14-9 1 0 0 1H-Inden-1-one, 2,3-dihydro-2-methyl- III-13





4449. 66288-51-5 1 0 0 1H-Inden-1-one, 2,3-dihydrotrimethyl- {3 isomers detected}

III-13

4450. 54789-23-0 1 1 1 1H-Inden-1-one, 2,3-dihydro-3,3,5,7-tetramethyl- III-13

4451. 35322-84-0 1 0 0 1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl- III-13

4452. 22303-81-7 1 0 0 1H-Inden-1-one, 3-methyl- III-13

4453. 615-13-4 1 0 0 2H-Inden-2-one, 1,3-dihydro- III-13

4454. 1 0 0 2H-Inden-2-one, dimethyl- III-13

4455. 1 0 0 2H-Inden-2-one, methyl- III-13

4456. 39815-71-9 0 1 0 2H-Inden-2-one, 1,4,5,6,7,7a-hexahydro-1-hydroxy-1,4,4,7a-tetramethyl-

H3C CH3

O

OH

H3CCH3

1

23

45

67

II.A-5, III-13

4457. 220-97-3 1 0 0 11H-Indeno[2,1-a]phenanthrene

{11H-naphtho[2,1-a]fluorene}

I.E-6

4458. 193-39-5 1 0 0 Indeno[1,2,3-cd]pyrene {o-phenylenepyrene}

I.E-6

4459. 64158-99-2 1 0 0 Indeno[1,2,3-cd]pyrene, dimethyl-


I.E-6

4460. 64158-98-1 1 0 0 Indeno[1,2,3-cd]pyrene, methyl-


I.E-6

4461. 1 0 0 Indeno[1,2,3-cd]pyrene, trimethyl-


I.E-6

4462. 244-99-5 1 0 0 5H-Indeno[1,2-b]pyridine {4-azafluorene}

N1

2

3

45

XVII.E-6

4463. 1 0 0 5H-Indeno[1,2-b]pyridine, dimethyl- XVII.E-6

4464. 1 0 0 5H-Indeno[1,2-b]pyridine, methyl- XVII.E-6

4465. 7440-74-6 1 1 1 Indium In XX-5

4466. 120-72-9 1 1 1 1H-Indole {2,3-benzopyrrole} NH

2

34

5

6

7

XVII.E-6

165


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Selected structures

Chapter

Table

4467. 1 0 0 1H-Indole, alkyl- XVII.E-6

4468. 5192-03-0 1 0 0 1H-Indole, 5-amino- XVII.E-6

4469. 55191-12-3 1 0 0 1H-Indole, 1,3-dibutyl- XVII.E-6

4470. 496-15-1 0 1 0 1H-Indole, 2,3-dihydro- {indoline} XVII.E-6

4471. 6872-06-6 0 1 0 1H-Indole, 2,3-dihydro-2-methyl- XVII.E-6

4472. 78210-52-3 1 0 0 1H-Indole, 2,3-dihydro-3-(3-pyridinylmethyl)- XVII.E-6

4473. 29930-57-2 1 0 0 1H-Indole, dimethyl- XVII.E-6

4474. 875-79-6 1 0 0 1H-Indole, 1,2-dimethyl- XVII.E-6









4483. 64844-47-9 1 0 0 1H-Indole, dimethylethyl- XVII.E-6

4484. 64844-49-1 1 0 0 1H-Indole, dimethylpropyl- XVII.E-6

4485. 97542-81-9 1 0 0 1H-Indole, ethyl- XVII.E-6

4486. 10604-59-8 1 0 0 1H-Indole, 1-ethyl- XVII.E-6




4490. 64844-45-7 1 0 0 1H-Indole, ethylmethyl- XVII.E-6

4491. 64844-50-4 1 0 0 1H-Indole, ethylpropyl- XVII.E-6

4492. 27323-28-0 1 1 1 1H-Indole, methyl- XVII.E-6

4493. 603-76-9 1 0 0 1H-Indole, 1-methyl- XVII.E-6


4495. 83-34-1 1 1 1 1H-Indole, 3-methyl- {skatole} XVII.E-6





4500. 1 0 0 1H-Indole, (1-methylethyl)- XVII.E-6

4501. 1 0 0 1H-Indole, methylphenyl- XVII.E-6

4502. 64844-46-8 1 0 0 1H-Indole, methylpropyl- XVII.E-6

4503. 948-65-2 1 1 1 1H-Indole, 2-phenyl- XVII.E-6

4504. 1504-16-1 1 0 0 1H-Indole, 3-phenyl- XVII.E-6

4505. 64844-44-6 1 0 0 1H-Indole, propyl- XVII.E-6

4506. 1859-92-3 1 0 0 1H-Indole, 3-propyl- XVII.E-6

4507. 64844-48-0 1 0 0 1H-Indole, tetramethyl- XVII.E-6

166


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Selected structures

Chapter

Table

4508. 30642-36-5 1 0 0 1H-Indole, trimethyl- XVII.E-6

4509. 1971-46-6 1 0 0 1H-Indole, 1,2,3-trimethyl- XVII.E-6



4512. 31212-21-2 0 1 0 1H-Indoleacetamide XIII-1

4513. 32536-43-9 0 1 0 1H-Indoleacetic acid IV.A-3

4514. 0 1 0 1H-Indole-2-acetonitrile, 1-methyl- XI-2

4515. 87-51-4 0 1 0 1H-Indole-3-acetic acid IV.A-3, XXI-3

4516. 1912-33-0 0 1 0 1H-Indole-3-acetic acid, methyl ester V-3

4517. 771-51-7 0 1 0 1H-Indole-3-acetonitrile XI-2

4518. 133-32-4 0 1 0 1H-Indole-3-butanoic acid IV.A-3, XXI-3

4519. 0 1 0 1H-Indole-3-butanoic acid, methyl ester V-3

4520. 487-89-8 0 1 0 1H-Indole-3-carboxaldehyde III-12

4521. 771-50-6 0 1 0 1H-Indole-3-carboxylic acid IV.A-3

4522. 942-24-5 0 1 0 1H-Indole-3-carboxylic acid, methyl ester NH

2

4

5

6

7

COO-CH3

V-3

4523. 61-54-1 0 1 0 1H-Indole-3-ethanamine XII-2

4524. 526-55-6 0 1 0 1H-Indole-3-ethanol II.A-5

4525. 830-96-6 0 1 0 1H-Indole-3-propanoic acid IV.A-3

4526. 5548-09-4 0 1 0 1H-Indole-3-propanoic acid, methyl ester V-3

4527. 35656-49-6 0 1 0 1H-Indolepropanoic acid, α-oxo- III-13, IV.A-3

4528. 392-12-1 0 1 0 1H-Indole-3-propanoic acid, α-oxo- III-13, IV.A-3

4529. 1761-10-0 0 1 0 Indolizine, 3-methyl- XVII.E-6

4530. 1761-11-1 1 0 0 Indolizine, 6-methyl-

N

XVII.E-6

4531. 54906-44-4 1 1 1 8(5H)-Indolizinone, 5,6,7,8-tetrahydro- {5-oxocyclohexa[a]pyrrole}

N

O

III-13

4532. 55041-88-8 0 1 0 8(5H)-Indolizinone, 6,7-dihydro-2-methyl- III-13

4533. 50-67-9 0 1 0 1H-Indol-5-ol, 3-(2-aminoethyl)- XII-2

4534. 59-48-3 1 0 0 2H-Indol-2-one, 1,3-dihydro-

{phthalimidine; oxindole} NH

O

XVII.C-1

4535. 15379-45-0 1 0 0 2H-Indol-2-one, 1,3-dihydro-3-ethyl- XVII.C-1

4536. 1 0 0 2H-Indol-2-one, 1,3-dihydro-3-methyl- XVII.C-1

4537. 20200-86-6 0 1 0 2H-Indol-2-one, 1,3-dihydro-1,3,3-trimethyl- XVII.C-1

4538. 58074-25-2 0 1 0 3H-Indol-3-one, 2,3,4,5,6,7-hexahydro-

{4,5,6,7-tetrahydro-3-indolinone}

NH

O

III-13

167


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Selected structures

Chapter

Table

4539. 6917-35-7 1 1 1 Inositol II.A-5

4540. 87-89-8 1 1 1 myo-Inositol OH

OH

OH

OH

HO

HO

II.A-5

4541. 3615-82-5 0 1 0 myo-Inositol, hexakis(dihydrogen phosphate), calcium magnesium salt

XX-6

4542. 71608-14-5 0 1 0 myo-Inositol, O-2-(acetylamino)-2-deoxy-α-D-

glucopyranosyl-(1→4)-O-alpha-D-

glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxodocosyl)amino]octadecyl hydrogen phosphate], disodium salt

XX-6



glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-1-[(2-hydroxy-1-oxopentacosyl)amino]octadecyl hydrogen phosphate], disodium salt

XX-6



glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxotricosyl)amino]octadecyl hydrogen phosphate], disodium salt

XX-6



glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxotetracosyl)amino]octadecyl hydrogen phosphate], disodium salt

XX-6



glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxodocosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt

XX-6



glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxotricosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt

XX-6



glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxotetracosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt

XX-6



glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxopentacosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt

XX-6



glucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2-[(2-hydroxy-1-oxohexacosyl)amino]-8-octadecenyl hydrogen phosphate], disodium salt

XX-6

4551. 89194-80-9 0 1 0 myo-Inositol, O-D-glucopyranosyl- II.A-5

4552. 49741-70-0 0 1 0 D-myo-Inositol, O-D-glucopyranosyl- II.A-5

168


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Selected structures

Chapter

Table

4553. 0 1 0 myo-Inositol, phosphatidyl- II.A-5

4554. 20461-54-5 0 1 0 Iodide I-1 XVIII.B-3, XX-5

4555. 7553-56-2 1 1 1 Iodine I2 XVIII.B-3, XX-5

4556. 7439-88-5 1 1 1 Iridium Ir XX-5

4557. 7439-89-6 1 1 1 Iron Fe XX-5

4558. 15281-98-8 1 0 0 Iron carbonyl Fe(CO)4 XX-6

4559. 15438-31-0 0 1 0 Iron, ion Fe+2

XX-5

4560. 1332-37-2 0 1 0 Iron oxide Fe2O3 XX-6

4561. 14596-12-4 1 1 1 Iron, isotope of mass 59 59

Fe XX-5

4562. 14484-64-1 0 1 0 Iron, tris(dimethylcarbamodithioato-S,S')-, (OC-6-11)- {Ferbam®}

N

S

S-

H3C

H3C

- -

- - 3

Fe3+

XXI-3

4563. 85-44-9 0 1 0 1,3-Isobenzofurandione {phthalic anhydride}

O

O

O

VII-1

4564. 56-25-7 0 1 0 1,3-Isobenzofurandione, 3a,7a-dimethyl-4,7-epoxy-hexahydro- {cantharidin}

O

O

O

O

VII-1

4565. 87-41-2 0 1 0 1(3H)-Isobenzofuranone {phthalide} O

O

VI-3

4566. 1 0 0 1(3H)-Isobenzofuranone, methyl- VI-3

4567. 551-08-6 0 1 0 1(3H)-Isobenzofuranone, 3-butylidene- VI-3

4568. 13277-77-5 0 1 0 1(3H)-Isobenzofuranone, 3,7-dihydroxy-3,4,5,6-tetramethyl-

VI-3

4569. 66309-76-0 1 0 0 1(3H)-Isobenzofuranone, 4,5,6,7-tetrahydro- VI-3

4570. 75-13-8 0 1 0 Isocyanic acid H-N=C=O XIX-5

4571. 52845-07-5 1 0 0 Isoeicosane I.A-10

4572. 52655-10-4 0 1 0 Isoeicosanol II.A-5

4573. 52845-08-6 1 0 0 Isoheneicosane I.A-10

4574. 54365-40-1 1 1 1 Isoheptacosane I.A-10

4575. 85-41-6 1 0 0 1H-Isoindole-1,3(2H)-dione {phthalimide} O

O

NH

XIV-1

4576. 66309-86-2 1 0 0 1H-Isoindole-1,3(2H)-dione, 4,5-dimethyl- XIV-1

4577. 1 0 0 1H-Isoindole-1,3(2H)-dione, methyl- XIV-1

4578. 7251-82-3 1 0 0 1H-Isoindole-1,3(2H)-dione, 4-methyl- XIV-1

4579. 40314-06-5 1 0 0 1H-Isoindole-1,3(2H)-dione, 5-methyl- XIV-1

169


CAS No.

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Selected structures

Chapter

Table

4580. 133-06-2 1 1 1 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]- {Captan®}

XIV-1, XVIII.A-1, XVIII.B-3, XXI-3

O

N S-CCl3

O

4581. 133-07-3 0 1 0 1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]- {Folpan®}

XIV-1, XVIII.A-1, XVIII.B-3, XXI-3

O

N S-CCl3

O

4582. 480-91-1 1 0 0 1H-Isoindol-1-one, 2,3-dihydro- XIV-1

4583. 6091-76-5 1 0 0 1H-Isoindol-1-one, 2,3-dihydro-3-methyl- XIV-1

4584. 7004-09-3 0 1 0 Isoleucine H3C-CH2-CH(CH3)-CH(NH2)-COOH


4585. 1509-34-8 0 1 0 Isoleucine, allo- IV.A-3, IV.B-7, XII-2

4586. 73-32-5 0 1 0 L-Isoleucine H3C-CH2-CH(CH3)-CH(NH2)-COOH


4587. 139681-66-6 0 1 0 L-Isoleucine, N-[N-[N-(N-L-methionyl-L-valyl)-L-phenylalanyl]-L-leucyl]-


4588. 80449-01-0 0 1 0 Isomerase, deoxyribonucleate topo- XXII-2

4589. 9001-41-6 0 1 0 Isomerase, glucose phosphate XXII-2

4590. 9055-95-2 0 1 0 Isomerase, pentose phosphate XXII-2

4591. 9023-83-0 0 1 0 Isomerase, ribose phosphate XXII-2

4592. 52701-70-9 0 1 0 Isopentacosane I.A-10

4593. 27836-87-9 0 1 0 Isopentadecanoic acid IV.A-3

4594. 0 1 0 Isoperoxidase A3 XXII-2

4595. 1 0 0 Isoquinolinamine XII-2

4596. 1532-84-9 1 0 0 1-Isoquinolinamine XII-2

4597. 119-65-3 1 1 1 Isoquinoline

XVII.E-6

4598. 64828-50-8 1 0 0 Isoquinoline, butyl- XVII.E-6

4599. 7661-38-3 1 0 0 Isoquinoline, 1-butyl- XVII.E-6

4600. 64973-79-1 1 0 0 Isoquinoline, dihydro- XVII.E-6

4601. 65312-77-8 1 0 0 Isoquinoline, dihydroethyl- XVII.E-6

4602. 65312-79-0 1 0 0 Isoquinoline, dihydromethyl- XVII.E-6

4603. 1 0 0 Isoquinoline, dimethyl- XVII.E-6

4604. 64828-51-9 1 0 0 Isoquinoline, ethyl- XVII.E-6

4605. 61010-32-0 0 1 0 Isoquinoline, 1-[(4-methoxy-3-nitrophenyl)methyl]-, mononitrate

XVII.E-6

4606. 58853-80-8 1 0 0 Isoquinoline, methyl-

{several methylquinolines detected in MSS}

XVII.E-6

4607. 1721-93-3 1 0 0 Isoquinoline, 1-methyl- XVII.E-6

4608. 1125-80-0 1 0 0 Isoquinoline, 3-methyl- XVII.E-6

4609. 64828-49-5 1 0 0 Isoquinoline, (1-methylethyl)- XVII.E-6

170


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Selected structures

Chapter

Table

4610. 1 0 0 Isoquinoline, methyltetrahydro- XVII.E-6

4611. 64849-98-5 1 0 0 Isoquinoline, propyl- XVII.E-6

4612. 29832-78-8 1 0 0 Isoquinoline, tetrahydro- XVII.E-6

4613. 64849-99-6 1 0 0 Isoquinolinecarbonitrile XI-2

4614. 1198-30-7 1 0 0 1-Isoquinolinecarbonitrile XI-2

4615. 0 1 0 5,6-Isoquinolinedione, 7,8-dihydro-1,3,7,7-tetramethyl-

III-13

4616. 55713-38-7 0 1 0 8(5H)-Isoquinolinone, 6,7-dihydro-1,3,6,6-tetramethyl- [6,7-dihydro- or 5,6,7,8-tetrahydro-?]

N

CH3 O

CH3

CH3

H3C

III-13

4617. 27137-10-6 1 0 0 Isotetradecanoic acid, methyl ester V-3

4618. 556-61-6 0 1 0 Isothiocyanic acid, methyl- {Trapex®} H3C-N=S XVIII.A-1, XXI-3

4619. 288-16-4 1 0 0 Isothiazole XVIII.A-1

4620. 34425-19-9 1 0 0 Isotriacontane I.A-10

4621. 288-14-2 0 1 0 Isoxazole XVII.D-2

4622. 300-87-8 0 1 0 Isoxazole, 3,5-dimethyl- XVII.D-2

4623. 10557-82-1 1 0 0 Isoxazole, trimethyl- = Isoxazole, 3,4,5-trimethyl-

O

NH3C

H3C CH3

XVII.D-2

4624. 81777-89-1 0 1 0 3-Isoxazolidinone 2-((2-chlorophenyl)methyl)-4,4-dimethyl- {Clomazone®}

O

N

Cl

O

XVII.D-2,

XVIII.B-3,

XXI-3

4625. 9013-02-9 0 1 0 Kinase (phosphorylating), adenylate XXII-2

4626. 9012-50-4 0 1 0 Kinase (phosphorylating), aspartate XXII-2

4627. 9026-67-9 0 1 0 Kinase (phosphorylating), choline XXII-2

4628. 9001-36-9 0 1 0 Kinase (phosphorylating), gluco- XXII-2

4629. 9026-62-4 0 1 0 Kinase (phosphorylating), glucurono- XXII-2

4630. 9001-51-8 0 1 0 Kinase (phosphorylating), hexo- XXII-2

4631. 9032-66-0 0 1 0 Kinase (phosphorylating), nicotinamide adenine dinucleotide

XXII-2

4632. 9001-80-3 0 1 0 Kinase (phosphorylating), phosphofructo- XXII-2

4633. 9032-96-6 0 1 0 Kinase (phosphorylating), phosphogluco- XXII-2

4634. 150656-38-5 0 1 0 Kinase (phosphorylating), protein (tobacco BY-2 cell isoenzyme ZmPK1 reduced)

XXII-2

4635. 9001-59-6 0 1 0 Kinase (phosphorylating), pyruvate XXII-2

4636. 9027-40-1 0 1 0 Kinase (phosphorylating), pyruvate-phosphate di- XXII-2

4637. 9030-57-3 0 1 0 Kinase (phosphorylating), ribulo- XXII-2

4638. 9031-51-0 0 1 0 Kinase (phosphorylating), shikimate XXII-2

4639. 63-42-3 0 1 0 Lactose II.A-5, VIII-3

4640. 79-62-9 0 1 0 Lanost-8-en-3-ol, (3β)- II.B-2

4641. 6890-88-6 0 1 0 Lanost-8-en-3-ol, 24-methylene-, (3β)- II.B-2

4642. 26409-08-5 0 1 0 Lanost-9(11)-en-3-ol, 24,25-epoxy-, (3β)- II.B-2

171


CAS No.

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Selected structures

Chapter

Table

4643. 79-63-0 0 1 0 Lanosta-8,24-dien-3-ol, (3β)- {lanosterol}

CH3

CH3

CH3

H3C CH3

HO

H3C

CH3

II.B-2

4644. 67493-77-0 0 1 0 Lanostane-3,7,11-triol, 3,7-diacetate, (3β,7β,11β)- II.B-2, V-3

4645. 70898-27-0 0 1 0 Lanostane-3,7-diol, (3β,7β)- II.B-2

4646. 7439-91-0 1 1 1 Lanthanum La XX-5

4647. 13981-28-7 1 1 1 Lanthanum, isotope of mass 140 140

La XX-5

4648. 7439-92-1 1 1 1 Lead Pb XX-5

4649. 14255-04-0 1 1 1 Lead, isotope of mass 210 210

Pb XX-5


Pb XX-5


Pb XX-5

4652. 0 1 0 Lead, isotope of mass 218 218

Pb XX-5

4653. 0 1 0 Lecithins XII-2

4654. 7005-03-0 1 1 1 Leucine (H3C)2=CH-CH2-CH(NH2)-COOH


4655. 61-90-5 0 1 0 L-Leucine IV.A-3, IV.B-7, XII-2

4656. 139681-65-5 0 1 0 L-Leucine, N-[N-[N-[N-[N-[N-[N-(N-L-methionyl-L-phenylalanyl)-L-seryl]-L-leucyl]-L-leucyl]-L-methionyl]-L-valyl]-L-valyl]-


4657. 9005-53-2 0 1 0 Lignin VIII-3

4658. 8068-04-0 0 1 0 Lignin, Klason VIII-3

4659. 8068-00-6 0 1 0 Lignin, milled wood VIII-3

4660. 9001-62-1 0 1 0 Lipase, triacylglycerol XXII-2

4661. 0 1 0 Lipoxygenase XXII-2

4662. 7439-93-2 1 1 1 Lithium Li XX-5

4663. 17341-24-1 0 1 0 Lithium, ion Li+1

XX-5

4664. 545-47-1 0 1 0 Lup-20(29)-en-3-ol, (3β)-

HO

II.B-2

4665. 7439-94-3 1 1 1 Lutecium Lu XX-5

4666. 9045-78-7 0 1 0 Lyase, isocitrate XXII-2

4667. 9015-75-2 0 1 0 Lyase, pectate XXII-2

4668. 6899-06-5 0 1 0 Lysine H2N-(CH2)4-CH(NH2)-COOH


4669. 28902-93-4 0 1 0 Lysine, hydroxy- IV.A-3, IV.B-7, XII-2

4670. 56-87-1 0 1 0 L-Lysine H2N-(CH2)4-CH(NH2)-COOH

IV.A-3, IV.B-7

172


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Selected structures

Chapter

Table

4671. 1114-34-7 0 1 0 Lyxose O

OH OH

OHHO

II.A-5, X-2

4672. 90803-60-4 0 1 0 M-1nkh XXII-2

4673. 14428-12-7 0 1 0 Magnesate(1-), [9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(3-)-N23,N24,N25,N26]-,

hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]- {chlorophyllide b}

XX-6

4674. 14897-06-4 0 1 0 Magnesate(1-), [9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-N23,N24,N25,N26]-,

hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]- {chlorophyllide a}

XX-6

4675. 15611-43-5 0 1 0 Magnesate(3-), [18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-2,3-dihydro-3,7,12, 17-tetramethyl-21H,23H-porphine-2-propanoato(5-)-N21,N22,N23,N24]-, trihydrogen, [SP-4-2-(2S-trans)]- {chlorophyllin}

XX-6

4676. 7439-95-4 1 1 1 Magnesium Mg XX-5

4677. 22537-22-0 0 1 0 Magnesium, ion Mg+2

XX-5

4678. 1309-48-4 0 1 0 Magnesium oxide MgO XX-6

4679. 479-61-8

42617-16-3

0 1 0 Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-

4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]-

{chlorophyll a}

XX-6

4680. 519-62-0 0 1 0 Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP-

4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]-

{chlorophyll b}

XX-6

4681. 0 1 0 Maltase XXII-2

4682. 69-79-4 0 1 0 α-Maltose

CH2OH CH2OH

O O

O

OH

OH

OH

OH

OH

OH

II.A-5,

VIII-3

4683. 0 1 0 β-Maltose II.A-5

4684. 7439-96-5 1 1 1 Manganese Mn XX-5

4685. 13446-35-0 0 1 0 Manganese chloride MnCl4 XX-6

4686. 12427-38-2 0 1 0 Manganese, [[1,2-ethanediylbis[carbamodithioato]](2-)]- {Maneb®} S- S-

Mn2+

S S

NHHN

XVIII.A-1,

XX-6,

XXI-3

173


CAS No.

S

T

S

T


Selected structures

Chapter

Table

4687. 8018-01-7 0 1 0 Manganese, [[1,2-ethanediylbis[carbamo-dithioato]](2-)] + zinc, [[1,2-ethanediylbis-[carbamodithioato]](2-)] {Mancozeb®}

Maneb +

S- S-

Zn2+

S S

NHHN

XVIII.A-1,

XX-6,

XXI-3

4688. 16397-91-4 0 1 0 Manganese, ion Mn+2

XX-5

4689. 14681-52-8 0 1 0 Manganese, isotope of mass 56 56

Mn XX-5

4690. 69-65-8 1 1 1 D-Mannitol {cordycepic acid} HOCH2-(CHOH)4-CH2OH II.A-5

4691. 31103-86-3 1 1 1 Mannose CH2OH

HO

OH

O

OH

OH

II.A-5

VIII-3

4692. 3458-28-4 1 1 1 D-Mannose {seminose} II.A-5, VIII-3

4693. 14307-02-9 0 1 0 D-Mannose, 2-amino-2-deoxy- {mannosamine} II.A-5, XII-2

4694. 3615-41-6 1 1 1 L-Mannose, 6-deoxy- {α-rhamnose} OOH

CH3

HO

OHOH

II.A-5, VIII-3

4695. 9025-42-7 0 1 0 Mannosidase, α- XXII-2

4696. 8049-97-6 0 1 0 Melanin XXII-2

4697. 585-99-9 0 1 0 Melibiose

O

CH2OH

OH

OH

HO

O

CH2

O

OH

OH

OH

HO

II.A-5, VIII-3

4698. 7439-97-6 1 1 1 Mercury Hg XX-5

4699. 13982-78-0 0 1 0 Mercury, isotope of mass 203 203

Hg XX-5

4700. 9002-91-9 0 1 0 Metaldehyde {acetaldehyde tetramer} XXI-3

4701. 74-89-5 1 1 1 Methanamine {methylamine} H3C-NH2 XII-2

4702. 75-50-3 1 1 1 Methanamine, N,N-dimethyl- {trimethylamine} (H3C)3≡N XII-2

4703. 124-40-3 1 1 1 Methanamine, N-methyl- {dimethylamine} (H3C)2=NH XII-2

4704. 62-75-9 1 1 1 Methanamine, N-methyl-N-nitroso- {NDMA} (H3C)2=N-NO(H3C)2=NH XII-2, XV-8

4705. 107-43-7 0 1 0 Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt {betaine}

-OOC-CH2-N

+≡(CH3)3 XII-2

4706. 74-82-8 1 0 0 Methane CH4 1.A-10

4707. 74-83-9 1 1 1 Methane, bromo- {Brom-o-Gas®,

Methogas®, Profume®, Terr-o-Gas®, Zytox®}

H3C-Br XVIII.B-3, XXI-3

4708. 74-87-3 1 0 0 Methane, chloro- H3C-Cl XVIII.B-3, XXI-3

4709. 75-09-2 1 1 1 Methane, dichloro- H2C=Cl2 XVIII.B-3, XXI-3

4710. 75-71-8 1 0 0 Methane, dichlorodifluoro- CF2Cl2 XVIII.B-3

4711. 74-88-4 1 0 0 Methane, iodo- H3C-I XVIII.B-3

4712. 624-83-9 1 0 0 Methane, isocyanato- {methyl isocyanate} H3C-N=C=O V-3

4713. 75-52-5 1 0 0 Methane, nitro- H3C-NO2 XVI-1

4714. 76-06-2 0 1 0 Methane, nitrotrichloro- {Chloropicrin®} Cl3≡C-NO2 XVI-1, XXI-3

4715. 115-10-6 0 1 0 Methane, oxybis- {dimethyl ether} H3C-O-CH3 X-2

174


CAS No.

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T

S

T


Selected structures

Chapter

Table

4716. 67-68-5 0 1 0 Methane, sulfinylbis- XVIII.A-1

4717. 75-18-3 1 1 1 Methane, thiobis- {methyl sulfide} (H3C)2=S XVIII.A-1

4718. 67-66-3 1 1 1 Methane, trichloro- {chloroform} H-C≡Cl3 XVIII.B-3, XXI-3

4719. 75-69-4 1 1 1 Methane, trichlorofluoro- F-C≡Cl3 XVIII.B-3

4720. 37924-13-3 0 1 0 Methanesulfonamide, trifluoro-N-(2-methyl-4-(phenylsulfonyl)phenyl)- {Perfluidone®} S NH-S-CF3

O O

OO

XXI-3

4721. 74-93-1 1 0 0 Methanethiol {methyl mercaptan} H3C-SH XVIII.A-1

4722. 475-20-7 0 1 0 1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9-

methylene-, [1S-(1α,3aβ,4α,8aβ)]-

I.C-1

4723. 469-61-4 0 1 0 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-

3,6,8,8-tetramethyl-, [3R-(3α,3aβ,7β,8aα)]-

I.C-1

4724. 77-53-2 0 1 0 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-

tetramethyl-, [3R-(3α,3aβ,6α,7β,8aα)]- CH3

CH3

OH

CH3

CH3

II.A-5

4725. 4586-22-5 0 1 0 4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomer

II.A-5

4726. 17622-35-4 0 1 0 4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, acetate, stereoisomer

V-3

4727. 1031-07-8 1 1 1 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3,3-dioxide

{Thiodan® sulfate; Endosulfan® sulfate}

CCl2

O

OS

Cl

Cl

Cl

Cl

O

O

XVIII.B-3,

XXI-3

4728. 115-29-7 1 1 1 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide

{Thiodan®; Thiosulfan®; Endosulfan®}

CCl2

O

OS O

Cl

Cl

Cl

Cl

XVIII.B-3,

XXI-3

4729. 33213-65-9 1 1 1 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-

hexahydro-, 3-oxide, (3α,5aα,6β,9β,9aα)-

{β-Endosulfan®}

XVIII.B-3, XXI-3

4730. 959-98-8 1 1 1 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-

hexahydro-, 3-oxide, (3α,5aβ,6α,9α,9aβ)-

{α-Endosulfan®}

XVIII.B-3, XXI-3

4731. 88125-11-5 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-one, 1a,2,3,4,7a,7b-hexahydro-1a,5,7b-trimethyl-,

[1aS-(1aα,2β,4aβ,7aα,7bα)]-

III-13

4732. 105300-09-2 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-

one, 1a-[(β-D- glucopyranosyloxy)methyl]octahydro-5,7b-dimethyl-

III-13


one, 3-(β-D-glucopyranosyloxy)octahydro-1a,5,7b-

trimethyl-, [1aS-(1aα,2β,3β,4aβ,5α,7aα,7bα)]-

II.A-5, III-13


one, 4-(β-D-glucopyranosyloxy)octahydro-1a,5,7b-

trimethyl-, [1aS-(1aα,2β,4β,4aβ,5α,7aα,7bα)]-

II.A-5, III-13

175


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Selected structures

Chapter

Table


one, 5-[(β-D-glucopyranosyloxy)methyl]octahydro-

1a,7b-dimethyl-, [1aS-(1aα,2β,4aβ,5α,7aα,7bα)]-

II.A-5, III-13


one, 6-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]octahydro-1a,5,7b-trimethyl-,

[1aS-(1aα,2β,4aβ,5α,6β,7aα,7bα )]-

II.A-5, III-13

4737. 68690-84-6 0 1 0 7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7-one, octahydro-1a,5,7b-trimethyl-, [1aS-

(1aα,2β,4aβ,5α,7aα,7bα)]-

III-13

4738. 76-44-8 1 1 1 4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro- {Heptachlor®}

XVIII.B-3,

XXI-3

4739. 5103-71-9 0 1 0 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro- {α-Chlordane®}

CCl2

Cl

Cl

Cl

Cl

Cl

Cl

XVIII.B-3,

XXI-3

4740. 12789-03-6 0 1 0 4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro- {γ-Chlordane®}

XVIII.B-3, XXI-3

4741. 1024-57-3 1 1 1 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-

hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-

{Heptachlor® epoxide}

CCl2

O

Cl

Cl Cl

Cl

Cl

XVIII.B-3,

XXI-3

4742. 297-78-9 1 1 1 4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-

{Isobenzan®; Telodrin®}

CCl2

Cl

Cl

Cl

Cl

ClCl

O

XVIII.B-3,

XXI-3

4743. 113-48-4 0 1 0 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-

XIV-1, XXI-3

4744. 67-56-1 1 1 1 Methanol H3C-OH II.A-5

4745. 5293-97-0 1 1 1 Methanone, bis(2-chlorophenyl)- III-13, XVIII.B-3, XXI-3

4746. 90-98-2 1 0 0 Methanone, bis(4-chlorophenyl)- III-13, XVIII.B-3, XXI-3

C

O

Cl Cl

4747. 24966-13-0 1 0 0 Methanone, cyclopropyl-3-pyridinyl- III-13

4748. 119-61-9 1 1 1 Methanone, diphenyl- {benzophenone} C6H5-CO-C6H5 III-13

4749. 5162-03-8 0 1 0 Methanone, (2-chlorophenyl)phenyl- III-13, XVIII.B-3

176


CAS No.

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T

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T


Selected structures

Chapter

Table

4750. 2385-85-5 0 1 0 1,3,4-Metheno-1H-cyclobuta[cd])pentalene, 1,1a,2,2,3,3a,4,5,5,5a,5b,6-dodecachlorooctahydro- {Mirex®}

XXI-3

4751. 7005-18-7 0 1 0 Methionine XVIII.A-1

4752. 63-68-3 0 1 0 L-Methionine H3C-S-(CH2)2-CH(NH2)-COOH XVIII.A-1

4753. 20236-97-9 0 1 0 D-Methionine, N-(carboxyacetyl)- XVIII.A-1

4754. 2143-68-2 1 0 0 Methoxy radical CH3O XXVII-1

4755. 2229-07-4 1 0 0 Methyl radical CH3 XXVII-1

4756. 55285-14-8 0 1 0 Methylcarbamic acid, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl [(di-N-butylamino)thio] ester {Carbosulfan®} O

OOC-N(CH3)-S-N

(CH2)3-CH3

(CH2)3-CH3

XXI-3

4757. 2032-59-9 0 1 0 Methylcarbamic acid, 4-(dimethylamino)-3-methylphenyl ester {Aminocarb®}

(H3C)2N OOC-NH-CH3

CH3

XXI-3

4758. 2032-65-7 0 1 0 Methylcarbamic acid, 3,5-dimethyl-4-(methylthio)phenyl ester {Methiocarb®}

H3C-NH-COO

S

XXI-3

4759. 29973-13-5 0 1 0 Methylcarbamic acid, 2-((ethylthio)methyl)phenyl ester {Ethiofencarb®}

SH3C-NH-COO

XXI-3

4760. 1822-74-8 1 0 0 Methyl ethenyl sulfide H3C-S-CH=CH2 XVIII.A-1

4761. 50936-45-3 0 1 0 Methyltransferase, caffeate XXII-2

4762. 9012-25-3 0 1 0 Methyltransferase, catechol XXII-2

4763. 152288-82-9 0 1 0 Methyltransferase, catechol (tobacco clone OMT3.4 isoenzyme II reduced)

XXII-2

4764. 9012-40-2 0 1 0 Methyltransferase, homocysteine XXII-2

4765. 9027-77-4 0 1 0 Methyltransferase, methionine S- XXII-2

4766. 9055-07-6 0 1 0 Methyltransferase, protein (arginine) XXII-2

4767. 9075-39-2 0 1 0 Methyltransferase, putrescine XXII-2

4768. 7439-98-7 1 1 1 Molybdenum Mo XX-5

4769. 16065-87-5 0 1 0 Molybdenum, ion Mo+6

XX-5

4770. 110-91-8 0 1 0 Morpholine X-2, XVII.D-2

4771. 110488-70-5 0 1 0 Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)- {Dimethomorph®; Acrobat®}

X-2, XVII.D-2, XVIII.B-3, XXI-3

4772. 147688-58-2 0 1 0 Morpholine, 2,2-dimethyl- X-2, XVII.D-2

4773. 59-89-2 1 1 1 Morpholine, 4-nitroso- {NMOR}

X-2, XV-8, XVII.D-2

4774. 70699-77-3 0 1 0 3-Morpholinepropanamide, 2-oxo-6-(1,2,3,4-

tetrahydroxybutyl)-, [3S-[3α,6α(1R*,2S*,3S*)]]-

X-2, XVII.D-2

4775. 9047-56-7 0 1 0 Mutase XXII-2

177


CAS No.

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T

S

T


Selected structures

Chapter

Table

4776. 92-24-0 1 0 0 Naphthacene

I.E-6

4777. 5385-22-8 1 0 0 Naphth[1,2-e]acephenanthrylene {dibenzo[b,j]fluoranthene}

I.E-6

4778. 28258-64-2 1 0 0 Naphthalenamine, N-phenyl- XII-2

4779. 134-32-7 1 0 0 1-Naphthalenamine

{naphthalene, 1-amino-; α-naphthylamine}

XII-2

4780. 2246-44-8 1 0 0 1-Naphthalenamine, 2-methyl- XII-2

4781. 91-59-8 1 0 0 2-Naphthalenamine

{naphthalene, 2-amino-; β-naphthylamine}

XII-2

4782. 10546-24-4 1 0 0 2-Naphthalenamine, 3-methyl- XII-2

4783. 135-88-6 1 0 0 2-Naphthalenamine, N-phenyl- NH-C6H5

XII-2

4784. 91-20-3 1 1 1 Naphthalene 1

2

3

45

6

7

8

I.E-6

4785. 1 0 0 Naphthalene, alkyl- I.E-6

4786. 91-17-8 1 0 0 Naphthalene, decahydro- 1

2

3

45

6

7

8

8a

4a

I.C-1

4787. 29350-73-0 0 1 0 Naphthalene, decahydro-1,6-dimethyl-4-(1-methylethyl)- {cadinene}

I.C-1

4788. 3242-05-5 0 1 0 Naphthalene, decahydro-1,8a-dimethyl-7-(1-

methylethyl)-, [1S- (1α,4aα,7α,8aα)]-

I.C-1

4789. 3738-00-9 0 1 0 Naphthalene, decahydro-1-ethoxido-2,5,5,8a-tetramethyl- {ambroxan}

O-

X-2

4790. 31831-35-3 0 1 0 Naphthalene, diethyl- I.E-6

4791. 29828-28-2 1 0 0 Naphthalene, dihydro- I.E-6

4792. 72692-88-7 1 0 0 Naphthalene, dihydrodimethyl- {at least 4 isomers in MSS}

I.E-6

4793. 39292-53-0 1 0 0 Naphthalene, dihydromethyl-

{at least 3 isomers in MSS}

I.E-6

4794. 2717-44-4 1 0 0 Naphthalene, 1,2-dihydro-3-methyl- I.E-6

4795. 4373-13-1 1 0 0 Naphthalene, 1,2-dihydro-4-methyl- I.E-6

178


CAS No.

S

T

S

T


Selected structures

Chapter

Table

4796. 67494-22-8 0 1 0 Naphthalene, 1,2-dihydro-5-methyl-3-(1-methylethenyl)-

I.E-6

4797. 1 1 1 Naphthalene, dihydrotrimethyl- {at least 2 isomers in MSS}

I.E-6

4798. 30364-38-6 1 1 1 Naphthalene, 1,2-dihydro-1,1,6-trimethyl-

I.E-6

4799. 4506-36-9 1 1 1 Naphthalene, 1,2-dihydro-1,5,8-trimethyl- I.E-6

4800. 28804-88-8 1 1 1 Naphthalene, dimethyl- I.E-6

4801. 573-98-8 1 1 1 Naphthalene, 1,2-dimethyl- I.E-6










4811. 71630-68-7 1 0 0 Naphthalene, dimethyl-2-ethenyl- I.E-6

4812. 65319-44-0 1 0 0 Naphthalene, dimethylethyl- I.E-6

4813. 71607-89-1 1 0 0 Naphthalene, 1,4-dimethyl-2-ethyl- I.E-6

4814. 66309-90-8 1 0 0 Naphthalene, 1,4-dimethyl- 5-ethyl- I.E-6

4815. 483-76-1 0 1 0 Naphthalene, 4,7-dimethyl-1,2,3,5,6,8a-hexahydro-1-(1-methylethyl)-, (1S-cis)-

I.C-1

4816. 31983-22-9 0 1 0 Naphthalene, 4,7-dimethyl-1,2,4a,5,6,8a-hexahydro-1-(1-methylethyl)- {α-muurolene}

I.C-1

4817. 483-77-2 0 1 0 Naphthalene, 1,6-dimethyl-4-(1-methylethyl)- 1,2,3,4-tetrahydro-, (1S-Z)-

I.E-6

4818. 4630-07-3 0 1 0 Naphthalene, 1,8a-dimethyl-7-(1-methylethenyl)-1,2,3,5,6,7,8,8a-octahydro- [1R 1α,7β,8a α]

{valencene}

CH3

CH3

CH2

CH3

I.C-1

179


CAS No.

S

T

S

T


Selected structures

Chapter

Table

4819. 10219-75-7 0 1 0 Naphthalene, 1,8a-dimethyl-7-(1-methylethenyl)-1,2,3,5,6,7,8,8a-octahydro- [1R 1α,7 α,8a α]

{eremophilene}

CH3

CH3

CH2

CH3

I.C-1

4820. 71607-60-8 1 0 0 Naphthalene, dimethyl-2-phenyl- I.E-6

4821. 1 0 0 Naphthalene, dimethyltetrahydro- {at least 3 isomers in MSS}

I.E-6

4822. 51855-29-9 65338-07-0

1 0 0 Naphthalene, dimethyl-1,2,3,4-tetrahydro- {at least 5 isomers in MSS}

I.E-6

4823. 826-74-4 1 0 0 Naphthalene, 1-ethenyl- I.E-6

4824. 827-54-3 1 0 0 Naphthalene, 2-ethenyl- I.E-6

4825. 64031-89-6 1 0 0 Naphthalene, 2-ethenylmethyl- {at least 2 isomers in MSS}

I.E-6

4826. 35737-86-1 1 0 0 Naphthalene, 2-ethenyl-1-methyl- I.E-6

4827. 93-18-5 0 1 0 Naphthalene, 2-ethoxy- {β-naphthyl ethyl ether} X-2

4828. 27138-19-8 1 0 0 Naphthalene, ethyl- I.E-6

4829. 1127-76-0 1 1 1 Naphthalene, 1-ethyl- I.E-6

4830. 939-27-5 1 1 1 Naphthalene, 2-ethyl- I.E-6

4831. 31391-42-1 1 0 0 Naphthalene, ethylmethyl- I.E-6

4832. 17057-94-2 1 1 1 Naphthalene, 1-ethyl-3-methyl- I.E-6






4838. 17179-41-8 1 1 1 Naphthalene, 2-ethyl-4-methyl- {naphthalene, 3-ethyl-1-methyl-}

I.E-6

4839. 17059-53-9 1 1 1 Naphthalene, 2-ethyl-5-methyl- {naphthalene, 6-ethyl-1-methyl-}

I.E-6



4842. 77242-78-5 1 0 0 Naphthalene, hexamethyl- I.E-6

4843. 93-04-9 0 1 0 Naphthalene, 2-methoxy- X-2

4844. 1321-94-4 1 1 1 Naphthalene, methyl- I.E-6

4845. 90-12-0 1 1 1 Naphthalene, 1-methyl- I.E-6

4846. 91-57-6 1 1 1 Naphthalene, 2-methyl- I.E-6

4847. 29253-36-9 1 1 1 Naphthalene, (1-methylethyl)- I.E-6

4848. 0 1 0 Naphthalene, 2 (1-methylethyl)- I.E-6

4849. 39029-41-9 0 1 0 Naphthalene, 7-methyl-4-methylene-1-(1-methylethyl)- 1,2,3,4,4a,5,6,8a-octahydro-,

(1α,4aβ,8aα)- {γ-cadinene}

I.C-1

4850. 1 0 0 Naphthalene, methylphenyl- I.E-6

4851. 71607-61-9 1 0 0 Naphthalene, methyl-2-phenyl- I.E-6

180


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Selected structures

Chapter

Table

4852. 34540-66-4 0 1 0 Naphthalene, methylpropyl- I.E-6

4853. 1680-58-6 1 1 1 Naphthalene, 1-(1-methylpropyl)- I.E-6

4854. 16727-91-6 1 1 1 Naphthalene, 1-(2-methylpropyl)- I.E-6

4855. 71607-57-3 1 1 1 Naphthalene, methyltetrahydro-

{at least 3 isomers in MSS}

I.E-6

4856. 31291-71-1 1 1 1 Naphthalene, methyl-1,2,3,4-tetrahydro- I.E-6

4857. 1 1 1 Naphthalene, 1-methyl-1,2,3,4-tetrahydro- I.E-6

4858. 3877-19-8 1 1 1 Naphthalene, 2-methyl-1,2,3,4-tetrahydro- I.E-6

4859. 2809-64-5 0 1 0 Naphthalene, 5-methyl-1,2,3,4-tetrahydro- I.E-6

4860. 1680-51-9 1 1 1 Naphthalene, 6-methyl-1,2,3,4-tetrahydro-

{naphthalene, 2-methyl-5,6,7,8-tetrahydro-}

I.E-6

4861. 86-57-7 1 1 1 Naphthalene, 1-nitro- XVI-1

4862. 56908-81-7 1 1 1 Naphthalene, pentamethyl- I.E-6

4863. 605-02-7 1 1 1 Naphthalene, 1-phenyl- I.E-6

4864. 612-94-2 1 1 1 Naphthalene, 2-phenyl- I.E-6

4865. 71697-04-6 1 0 0 Naphthalene, phenyl-, monomethyl derivative I.E-6

4866. 27378-74-1 0 1 0 Naphthalene, propyl- I.E-6

4867. 2765-18-6 1 0 0 Naphthalene, 1-propyl- I.E-6

4868. 2027-19-2 1 0 0 Naphthalene, 2-propyl- I.E-6

4869. 119-64-2 1 1 1 Naphthalene, 1,2,3,4-tetrahydro- {tetralin} I.E-6

4870. 121214-18-4

1 0 0 Naphthalene, tetrahydrotrimethyl- {at least 3 isomers in MSS}

I.E-6

4871. 72843-02-8 1 0 0 Naphthalene, 1,2,3,4-tetrahydrotrimethyl- {at least 3 isomers in MSS}

I.E-6

4872. 475-03-6 1 1 1 Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl- {α-ionene}

I.E-6

4873. 21693-51-6 0 1 0 Naphthalene, 1,2,3,4-tetrahydro-1,5,8-trimethyl- I.E-6

4874. 30316-36-0 0 1 0 Naphthalene, 1,2,3,4-tetrahydro-1,6,8-trimethyl- I.E-6

4875. 28652-74-6 1 1 1 Naphthalene, tetramethyl- {at least 4 isomers in MSS}

I.E-6

4876. 28652-77-9 1 1 1 Naphthalene, trimethyl- {at least 10 isomers in MSS}

I.E-6

4877. 2717-42-2 1 1 1 Naphthalene, 1,2,4-trimethyl- I.E-6







4884. 2245-38-7 1 1 1 Naphthalene, 1,6,7-trimethyl-

{naphthalene, 2,3,5-trimethyl-}

I.E-6


181


CAS No.

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Selected structures

Chapter

Table

4886. 68985-11-5 0 1 0 1-Naphthaleneacetaldehyde, 3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (4aS-trans)-

CHO

III-12

4887. 3243-36-5 0 1 0 1-Naphthaleneacetaldehyde, decahydro-5,5,8a-

trimethyl-2-methylene-, [1S-(1α,4aβ,8aα)]-

CHO

CH2

III-12

4888. 68982-27-4 0 1 0 1-Naphthaleneacetaldehyde, decahydro-5,5,8a-

trimethyl-2-oxo-, [1R-(1α,4aβ,8aα)]-

III-12, III-13

4889. 86-87-3 0 1 0 1-Naphthaleneacetic acid IV.A-3, XXI-3

4890. 132-75-2 1 0 0 1-Naphthaleneacetonitrile XI-2

4891. 25551-35-3 1 0 0 Naphthalenecarbonitrile XI-2

4892. 1 0 0 Naphthalenecarbonitrile, alkyl- XI-2

4893. 1 0 0 Naphthalenecarbonitrile, methyl- {2 isomers)

XI-2

4894. 86-53-3 1 0 0 1-Naphthalenecarbonitrile XI-2

4895. 23245-64-9 1 0 0 1-Naphthalenecarbonitrile, 5-nitro- XI-2

4896. 613-46-7 1 0 0 2-Naphthalenecarbonitrile XI-2

4897. 68985-10-4 0 1 0 1-Naphthalenecarboxaldehyde, 3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-, (4aS-trans)-

CHO

III-12

4898. 31519-22-9 0 1 0 2-Naphthalenecarboxylic acid, 1,4-dihydroxy- IV.A-3

4899. 79886-54-7 0 1 0 1,2-Naphthalenediol, decahydro-2,5,5,8a-

tetramethyl-, [1R-(1α,2β,4aβ,8aα)]-

II.A-5

4900. 37208-05-2 0 1 0 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [1R-

(1α,3β,4β,4aα,6α)]-

OH

HO

CH3

CH3

CH2

CH3

II.A-5

4901. 114393-99-6 0 1 0 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, 3-acetate, [1R-

(1α,3β,4.

II.A-5, V-3

4902. 65513-74-8 0 1 0 1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-6-[1-(hydroxymethyl)ethenyl]-4,4a-dimethyl-,

(1α,3β,4β,4aα,6α)-

II.A-5

4903. 92-44-4 1 0 0 2,3-Naphthalenediol IX.A-22

4904. 27656-76-4 0 1 0 2,3-Naphthalenediol, 1,2α,3β,4,5,6,7,8-octahydro-

7α-isopropenyl-1α-methyl-

II.A-5

4905. 18178-54-6 1 1 1 2,3-Naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1-

methyl-7-(1-methylethenyl)-, [1S-(1α,2β,3α,7β)]- {rishitin}

II.A-5

182


CAS No.

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T

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T


Selected structures

Chapter

Table

4906. 73496-12-5 0 1 0 2,3-Naphthalenediol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadienyl)-, [1S-

[1α(E),2α,3β,4aβ,8aα]]-

CH3H3C

CH3 CH3

OH

CH3

CH2

OH

II.A-5

4907. 524-42-5 1 0 0 1,2-Naphthalenedione {1,2-naphthoquinone} O

O

IX.B-2

4908. 117769-22-9 0 1 0 2,3-Naphthalenedione, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-

CH3

O

O

CH3

CH3

H2C

III-13

4909. 88125-12-6 0 1 0 2,3-Naphthalenedione, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-

III-13

4910. 130-15-4 1 0 0 1,4-Naphthalenedione {1,4-naphthoquinone} O

O

IX.B-2

4911. 117-80-6 0 1 0 1,4-Naphthalenedione, 2,3-dichloro- {Diclone®}

IX.B-2, XVIII.B-3,

XXI-3

4912. 73850-17-6 1 0 0 1,4-Naphthalenedione, dimethyl- IX.B-2

4913. 2197-57-1 1 0 0 1,4-Naphthalenedione, 2,3-dimethyl- IX.B-2

4914. 482-70-2 1 0 0 1,4-Naphthalenedione, 2,7-dimethyl- IX.B-2

4915. 68860-42-4 1 1 1 1,4-Naphthalenedione, 2,3-dimethyl-6-(4,8,12-trimethyltridecyl)-, (R*,R*)-

IX.B-2

4916. 481-39-0 0 1 0 1,4-Naphthalenedione, 5-hydroxy- {juglone} IX.B-2

4917. 1 0 0 1,4-Naphthalenedione, methyl- IX.B-2

4918. 58-27-5 1 0 0 1,4-Naphthalenedione, 2-methyl- IX.B-2

4919. 84-80-0 0 1 0 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-

{Vitamin K1}

IX.B-2

4920. 73850-15-4 1 0 0 1,4-Naphthalenedione, tetramethyl- IX.B-2

4921. 1 0 0 1,4-Naphthalenedione, trimethyl- IX.B-2

4922. 20490-42-0 1 1 1 1,4-Naphthalenedione, 2,3,6-trimethyl- IX.B-2

4923. 59832-90-5 1 0 0 1,4-Naphthalenedione, 2,6,7-trimethyl- IX.B-2

4924. 102977-87-7 0 1 0 2-Naphthaleneethanol, 3,4-dihydro-1,5,6-trimethyl- II.A-5

4925. 52617-99-9 0 1 0 1-Naphthalenemethanol, decahydro-2-hydroxy-

2,5,5,8a-tetramethyl-, [1S-(1α,2β,4aβ,8aα)]-

II.A-5

4926. 29484-46-6 0 1 0 2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydro-

α,α,4a,8-tetramethyl-, [2S-(2α,4aβ,8aβ)]-

II.A-5

4927. 473-17-6 0 1 0 2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydro-

α,α,4a,8-tetramethyl-, [2R-(2α,4aβ,8aβ)]-

II.A-5

183


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T

S

T


Selected structures

Chapter

Table

4928. 87797-89-5 0 1 0 2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,5,6-tetramethyl-, (R)-

II.A-5


II.A-5

4930. 61263-48-7 0 1 0 2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,5,8-tetramethyl-, acetate, (R)-

II.A-5


II.A-5

4932. 121269-01-0 0 1 0 2-Naphthalenemethanol, 3,4-dihydro-1,5,6-trimethyl-

II.A-5

4933. 10267-21-7 0 1 0 1-Naphthalenepentanol, decahydro-2-hydroxy-

γ,2,5,5,8a-pentamethyl-, [1R-[1α(S*),2β,4aβ,8aα]]

II.A-5

4934. 0 1 0 1-Naphthalene-2-pentenol, decahydro-γ,2,5,5,8a-pentamethyl-

II.A-5

4935. 0 1 0 1-Naphthalene-2-pentenol, 3,4,4a,5,6,7,8,8a-

octahydro-γ,2,5,5,8a-pentamethyl-

II.A-5

4936. 596-85-0 0 1 0 1-Naphthalenepropanol, α-ethenyldecahydro-

α,5,5,8a-tetramethyl-2-methylene-, [1S-

[1α(S*),4aβ,8aα]]- {manool}

OH

II.A-5

4937. 4630-08-4 0 1 0 1-Naphthalenepropanol, α-ethenyldecahydro-2-

hydroxy-α,2,5,5,8a-pentamethyl-, [1R-

[1α(S*),2β,4aβ,8aα]]- {episclareol}

II.A-5


hydroxy-α,2,5,5,8a-pentamethyl-, [1R-

[1α(R*),2β,4aβ,8aα]]- {sclareol}

II.A-5


hydroxy-α,5,5,8a- tetramethyl-2-methylene-

II.A-5

4940. 121198-51-4 0 1 0 Naphthalenol, 6,8-dimethyl- IX.A-22

4941. 121198-52-5 0 1 0 Naphthalenol, 7,8-dimethyl- IX.A-22

4942. 90-15-3 1 0 0 1-Naphthalenol {1-naphthol = α-naphthol} OH

2

3

45

6

7

8

IX.A-0722

4943. 40529-54-2 1 0 0 1-Naphthalenol, dimethyl- IX.A-22

4944. 59534-35-9 1 0 0 1-Naphthalenol, methyl- IX.A-22

4945. 1 0 0 1-Naphthalenol, methyl-nitro- IX.A-22

4946. 7469-77-4 1 0 0 1-Naphthalenol, 2-methyl- IX.A-22

4947. 63-25-2 1 1 1 1-Naphthalenol, methylcarbamate {Sevin®; Carbaryl®}

OOC-NH-CH3

V-3, XXI-3

4948. 529-33-9 1 0 0 1-Naphthalenol, 1,2,3,4-tetrahydro- OH

II.A-5

4949. 55591-08-7 0 1 0 1-Naphthalenol, 1,2,3,4-tetrahydro-2,5,8-trimethyl- II.A-5

184


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Selected structures

Chapter

Table



4952. 67494-23-9 0 1 0 1-Naphthalenol, 1,2,3,4-tetrahydro-8-methyl-2-(1-

methylethenyl)-, (Z)-(±)

II.A-5

4953. 135-19-3 1 0 0 2-Naphthalenol {2-naphthol = β-naphthol} OH

IX.A-22, XXI-3

4954. 31149-06-1 0 1 0 2-Naphthalenol, 1-[5-(acetyloxy)-3-methyl-3-pentenyl]decahydro-2,5,5,8a-tetramethyl-, [1R-

[1α(E),2β,4aβ,8aα]]-

CH3H3C

CH3 CH3

OH

CH3

CH2O-COCH3

II.A-5, V-3

4955. 66890-73-1 0 1 0 2-Naphthalenol, decahydro-1-(3-hydroxy-3-methyl-1,4-pentadienyl)-2,5,5,8a-tetramethyl-, [1R-

[1α(1E,3S*),2β,4aβ,8aα]]-

OHH3C

CH3

OH

CH3H3C

CH2

CH3

II.A-5

4956. 66966-02-7 0 1 0 2-Naphthalenol, decahydro-1-(3-hydroxy-3-methyl-1,4-pentadienyl)-2,5,5,8a-tetramethyl-, [1R-

[1α(1E,3R*),2β,4aβ,8aα]]-

OHH3C

CH3

OH

CH3H3C

CH2

CH3

II.A-5

4957. 10267-31-9 0 1 0 2-Naphthalenol, decahydro-1-(5-hydroxy-3-methyl-3-pentenyl)-2,5,5,8a-tetramethyl-, [1R-

[1α(E),2β,4aβ,8aα]]-

CH3H3C

CH3 CH3

OH

CH3

CH2OH

II.A-5

4958. 22343-28-8 0 1 0 2-Naphthalenol, decahydro-1-(5-hydroxy-3-methyl-3-pentenyl)-2,5,5,8a-tetramethyl-, [1R-

(1α,2β,4aβ,8aα)]-

II.A-5

4959. 53163-43-2 0 1 0 2-Naphthalenol, decahydro-1,2,5,5,8a-pentamethyl-

, [1R-(1α,2β,4aβ,8aα)]-

II.A-5

4960. 36211-21-9 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl- CH3

OH

CH3H3C

CH3

12

345

6

78

8a

4a

II.A-5

4961. 49749-17-9 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-,

(2α,4aα,8aβ)-(±)-

II.A-5

4962. 42569-63-1 1 0 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-1,3-pentadienyl)-, [1R-

[1α(1E,3E),2β,4aβ,8aα]]-

II.A-5

185


CAS No.

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T

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T


Selected structures

Chapter

Table

4963. 1616-86-0 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-

(3-methyl-2,4-pentadienyl)-, [1R-(1α,2β,4aβ,8aα)]-

{Z-abienol}

CH3

CH2

CH3H3C

CH3 CH3

OH

12

3

45

8

7

6

8a

II.A-5, XXI-3


[1α(E),2β,4aβ,8aα]]-

CH3H3C

CH3 CH3

OH

12

3

45

8

7

6

8a

CH3

II.A-5


[1α(Z),2β,4aβ,8aα]]-

II.A-5

4966. 62121-32-8 0 1 0 2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-[(3-methyl-2-furanyl)methyl]-, [1R-

(1α,2β,4aβ,8aα)]-

CH3H3C

CH3

O

CH3CH3

OH

II.A-5

4967. 82451-46-5 0 1 0 2-Naphthalenol, decahydro-4a,8,8-trimethyl-3-methylene-4-(3-methyl-2,4-pentadienyl)-, [2S-

[2α,4α(E),4aα,8aβ]]-

II.A-5

4968. 82458-63-7 0 1 0 2-Naphthalenol, decahydro-4a,8,8-trimethyl-3-methylene-4-(3-methylene-4-pentenyl)-, [2S-

(2α,4α,4aα,8aβ)]-

II.A-5

4969. 58239-50-2 0 1 0 2-Naphthalenol, decahydro-5,5,8a-trimethyl-, [2R-

(2α,4aα,8aβ)]-

II.A-5

4970. 1 0 0 2-Naphthalenol, dimethyl- IX.A-22

4971. 54703-51-4 1 0 0 2-Naphthalenol, 1,8-dimethyl- IX.A-22

4972. 59534-36-0 1 0 0 2-Naphthalenol, methyl- IX.A-22

4973. 1076-26-2 1 0 0 2-Naphthalenol, 1-methyl- IX.A-22

4974. 71369-76-1 1 0 0 2-Naphthalenol, tetrahydro- IX.A-22

4975. 530-91-6 1 0 0 2-Naphthalenol, 1,2,3,4-tetrahydro- OH

II.A-5

4976. 1125-78-6 1 0 0 2-Naphthalenol, 5,6,7,8-tetrahydro- IX.A-22

4977. 1 0 0 2-Naphthalenol, 5,6,7,8-tetramethyl- IX.A-22

4978. 73850-18-7 1 0 0 2-Naphthalenol, trimethyl- IX.A-22

4979. 30889-50-0 1 0 0 2-Naphthalenol, 3,5,8-trimethyl- IX.A-22

4980. 17910-08-6 0 1 0 4a(2H)-Naphthalenol, 1,5,6,7,8,8a-hexahydro-4,7-

dimethyl-1-(1-methylethyl)-, [1S-(1α,4aβ,7α,8aα)]- OH

CH3

H3C

H3C CH3

12

344a

5

6

78

II.A-5

4981. 529-34-0 1 0 0 1(2H)-Naphthalenone, 3,4-dihydro- {1-tetralone} O

III-13

186


CAS No.

S

T

S

T


Selected structures

Chapter

Table

4982. 117210-52-3 0 1 0 1(2H)-Naphthalenone, 3,4-dihydro-5-methyl-3-(1-methylethenyl)-

III-13

4983. 1 0 0 1(2H)-Naphthalenone, 3,4-dihydro-4,5,6-trimethyl- III-13

4984. 27410-97-5 1 0 0 1(2H)-Naphthalenone, 3,4-dihydro-4,5,7-trimethyl- III-13

4985. 41720-93-8 0 1 0 1(2H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3-hydroxy-4,4a-dimethyl-6-(1-methylethenyl)-, [3R-

(3α,4α,4aβ,6β)]-

III-13

4986. 52811-60-6 0 1 0 1(2H)-Naphthalenone, octahydro-2-hydroxy-2,5,5,8a-tetramethyl-

OOH

CH3

H3C CH3

H3C

II.A-5, III-13

4987. 55497-93-3 0 1 0 1(2H)-Naphthalenone, octahydro-2-hydroxy-

2,5,5,8a-tetramethyl-, [2R- (2α,4aα,8aβ)]-

II.A-5, III-13

4988. 25487-94-9 0 1 0 1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-2,5,5,8a-tetramethyl-, (4aS-trans)- CH3

CH3H3C

OH3C

III-13

4989. 57601-69-1 0 1 0 1(4H)-Naphthalenone, 2-hydroxy-4,4,7-trimethyl- III-13, IX.A-22

4990. 117472-47-6 0 1 0 1(4H)-Naphthalenone, 5,6,7,8-tetrahydro-8-methyl-5-(1-methylethenyl)-

III-13

4991. 29210-91-1 1 0 0 2(1H)-Naphthalenone, 3,4-dihydro-4,4,7-trimethyl- III-13

4992. 55733-01-2 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4,4a,8,8-pentamethyl-, (4aS-trans)-

III-13

4993. 76739-26-9 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4,4a,8,8-pentamethyl-

III-13

4994. 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3-hydroxy-3,4a,8,8-tetramethyl- {2 isomers reported}

II.A-5, III-13

4995. 51020-10-1 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-, (4aR-trans)- {isonordimenone}

CH3

CH3H3C

H3C

O

III-13

4996. 72446-33-4 0 1 0 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl-4-(3-oxobutyl)-, (4aS-trans)-

III-13

4997. 14506-68-4 0 1 0 2(1H)-Naphthalenone, 1-(3-hydroxy-3-methyl-4-pentenyl)-octahydro-5,5,8a-trimethyl-, [1R-

[1α(R*),4aβ,8aα]]-

II.A-5, III-13

4998. 57567-07-4 0 1 0 2(1H)-Naphthalenone, 8-(3-hydroxy-3-methyl-4-pentenyl)-octahydro-4,4,8a- trimethyl-7-methylene-

II.A-5, III-13

4999. 473-08-5 1 1 1 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-

{bicyclo[4.4.0]dec-1-en-3-one, 2,6-dimethyl-9-isopropenyl-}

O

III-13

5000. 60026-22-4 1 0 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)- {6-epicyperone-1}

III-13

187


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Selected structures

Chapter

Table

5001. 55051-94-0 0 1 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-3-hydroxy-4-methyl-6-(1-methylethenyl)-, [3R-

(3α,4β,4aβ,6α)]-

O

HO

CH3 CH2

CH3

II.A-5, III-13

5002. 4674-50-4 0 1 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-

dimethyl-6-(1-methylethenyl)-, [4R-(4α,4aα,6β)]-{bicyclo[4.4.0]dec-1-en-3-one, 5,6-dimethyl-8-isopropenyl-} {nootkatone} O

CH3

CH3

CH3

CH2

III-13

5003. 102977-86-6 0 1 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-7-(1-methylethenyl)-

III-13

5004. 38044-00-7 0 1 0 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4-hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-

II.A-5, III-13

5005. 39815-74-2 0 1 0 2(3H)-Naphthalenone, 4,6,7,8-tetrahydro-4,4,7-trimethyl-

O

2

3

4 56

7

III-13

5006. 68420-60-0 0 1 0 2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-3-hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-

O

CH3

CH3

CH2

CH3

HO

II.A-5, III-13

5007. 38043-97-9 1 1 1 2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-4-hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-, (4aR-cis)-

{1-keto-α-cyperone} O

OHCH3

CH3

CH2

CH3

II.A-5, III-13

5008. 0 1 0 2(6H)-Naphthalenone, 3,4,7,8-tetrahydro-4,4,7-trimethyl-

O

2

3

4 56

7

III-13

5009. 1338-24-5 0 1 0 Naphthenic acids IV.A-3

5010. 192-65-4 1 0 0 Naphtho[1,2,3,4-def]chrysene {dibenzo[a,e]pyrene}

I.E-6

5011. 190-99-8 1 0 0 1H-Naphtho[3,2,1,8-defg]chrysene {1,2,5,6-dibenzopyrene}

I.E-6

5012. 11141-17-6 0 1 0 1H,7H-Naphtho[1,8a,8-bc:4,4a-c’]difuran-3,7a-dicarboxylic acid, (3S,3aR,4S, 5S,5aR, 5a

1R

7aS,8R,10S,10aS)-8-acetoxy-3,3a,4,5a,5a

1,7a,8,9,10-decahydro-3,5-dihydroxy-

4-{(1S,3S,7S,8R,9S,11R)-7-hydroxy-9-methyl-2,4,10-trioxatetracyclo[6.3.1.0

3,7.0

9,11]dodeca-5-en-

11-yl}-4-methyl-10[(E)-2-methylbut-2-enoyloxy]-, dimethyl ester

{Azadirachtin® A and B, Neem®}

XXI-3

5013. 1 0 0 Naphthofuran X-2

5014. 1 0 0 Naphthofuran, dimethyl- X-2

188


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Chapter

Table

5015. 1 0 0 Naphthofuran, methyl- X-2

5016. 234-03-7 1 0 0 Naphtho[1,2-b]furan X-2

5017. 71607-62-0 1 0 0 Naphtho[1,2-b]furan, dimethyl- X-2

5018. 25826-63-5 1 0 0 Naphtho[1,2-b]furan, 2-methyl- X-2

5019. 232-95-1 1 0 0 Naphtho[2,1-b]furan

O

X-2

5020. 65588-69-4

6790-58-5

0 1 0 Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9a-

tetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]- {ambroxide; ambroxyl}

O

X-2

5021. 52811-62-8 0 1 0 Naphtho[2,1-b]furan-2-ol, dodecahydro-3a,6,6,9a-tetramethyl- {sclaral}

H3C CH3

CH3

CH3

O

OH

II.A-5, X-2

5022. 30450-17-0 0 1 0 Naphtho[2,1-b]furan-2(1H)-one, decahydro-

3a,6,6,9a-tetramethyl-, [3aS- (3aα,5aα,9aβ,9bα)]-

X-2

5023. 564-20-5 1 1 1 Naphtho[2,1-b]furan-2(1H)-one, decahydro-

3a,6,6,9a-tetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]- {1,5,5,9-tetramethyl-13-oxatricyclo[8,3,0,0(4,9)]tridecane} {sclareolide}

O

O

CH3

CH3

H3C

CH3

VI-3

5024. 1 1 1 Naphtho[2,1-b]furan-2(1H)-one, decahydro-

3a,6,6,9a-tetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]- {1,5,5,9-tetramethyl-13-oxatricyclo[8,3,0,0(4,9)]tridecane} , labeled with 14

C {sclareolide-14

C}

XXV-29

5025. 52811-59-3 0 1 0 Naphtho[2,1-b]furan-2(3aH)-one, 4,5,5a,6,7,8,9,9a-octahydro-3a,6,6,9a-tetramethyl-, [3aR-

(3aα,5aβ,9aα)]-

H3C CH3

CH3

O

OCH3

VI-3

5026. 56682-25-8 0 1 0 Naphtho[2,1-b]furan-2-methanol, α-

ethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,

[2R-[2α(R*),3aβ,5aα,9aβ,9bα]]-

CH3H3C

CH3

H2C

OH

CH3

O

CH3

II.A-5, X-2



[2R-[2α(S*),3aβ,5aα,9aβ,9bα]]-

CH3H3C

CH3

H2C

OH

CH3

O

CH3

II.A-5, X-2

189


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Chapter

Table



[2S-[2α(S*),3aα,5aβ,9aα,9bβ]]-

CH3H3C

CH3

H2C

OH

CH3

O

CH3

II.A-5, X-2



[2S-[2α(R*),3aα,5aβ,9aα,9bβ]]-

CH3H3C

CH3

H2C

OH

CH3

O

CH3

II.A-5, X-2

5030. 196-42-9 1 0 0 Naphtho[2,1,8-qra]naphthacene

I.E-6

5031. 52811-58-2 0 1 0 3H-Naphtho[2,1-b]pyran-3-one, 4a,5,6,6a,7,8,9,10,10a,10b-decahydro-4a,7,7,10a-

tetramethyl-, [4aR-(4aα,6aβ,10aα,10bβ)]- {dehydroambreinolide}

CH3

CH3

H3C

CH3

O

O

VI-3

5032. 468-84-8 0 1 0 3H-Naphtho[2,1-b]pyran-3-one, dodecahydro-4a,7,7,10a-tetramethyl-, [4aR-

(4aα,6aβ,10aα,10bβ)]- {ambreinolide}

VI-3

5033. 5153-92-4 0 1 0 1H-Naphtho[2,1-b]pyran, 4a,5,6,6a,7,8,9,10,10a,10b-decahydro-3,4a,7,7,10a-pentamethyl-, [4aR-

(4aα,6aβ,10aα,10bβ)]-

X-2

5034. 6252-26-2 0 1 0 1H-Naphtho[2,1-b]pyran, dodecahydro-3,4a,7,7,10a-pentamethyl-

X-2

5035. 596-84-9 0 1 0 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-

(3α,4aβ,6aα,10aβ,10bα)]-

X-2

5036. 59170-14-8 1 1 1 1H-Naphtho[2,1-b]pyran-2-ol, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,

[2S-(2α,3β,4aβ,6aα,10aβ,10bα)]-

{labd-14-ene, 8,13-epoxy-12α-hydroxy-}

{12α-hydroxy-13-epimanoyl oxide} CH3H3C

CH3

CH3

OHCH3

CH2

O

II.A-5, X-2


[2R-(2α,3α,4aα,6aβ,10aα,10bβ)]-

CH3H3C

CH3

CH3

OHCH3

CH2

O

II.A-5, X-2

190


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Chapter

Table


[2S-(2α,3α,4aβ,6aα,10aβ,10bα)]-

CH3H3C

CH3

CH3

OHCH3

CH2

O

II.A-5, X-2


[2R-(2α,3β,4aα,6aβ,10aα,10bβ)]-

CH3H3C

CH3

CH3

OHCH3

CH2

O

II.A-5, X-2

5040. 37551-73-8 0 1 0 1H-Naphtho[2,1-b]pyran-2(3H)-one, 3-ethenyldecahydro-3,4a,7,7,10a-pentamethyl-, [3S-

(3α,4aβ,6aα,10aβ,10bα)]-

CH3H3C

CH3

CH3

CH3

CH2

O

O

III-13, X-2

5041. 37551-74-9 0 1 0 1H-Naphtho[2,1-b]pyran-2(3H)-one, 3-ethenyldecahydro-3,4a,7,7,10a-pentamethyl-, [3R-

(3α,4aα,6aβ,10aα,10bβ)]-

CH3H3C

CH3

CH3

CH3

CH2

O

O

III-13, X-2

5042. 68985-12-6 0 1 0 1H-Naphtho[2,1-b]pyran-2(3H)-one, 3-ethenyldecahydro-3,4a,7,7,10a-pentamethyl-

III-13

5043. 313-80-4 1 0 0 Naphtho[2,1,8-def]quinoline {1-azapyrene}

XVII.E-6

5044. 1 0 0 Naphtho[2,1,8-def]quinoline, dimethyl- XVII.E-6

5045. 1 0 0 Naphtho[2,1,8-def]quinoline, methyl- XVII.E-6

5046. 1 0 0 Naphtho[2,1,8-def]quinoline, trimethyl- XVII.E-6

5047. 215-26-9 1 0 0 Naphtho[1,2-b]triphenylene

{tribenz[a,c,h]anthracene}

I.E-6

5048. 191-37-7 1 0 0 Naphtho[2,1,8,7-klmn]xanthene

O

1

2

3

4

5

6

7

8

9

10

11

X-2

5049. 1 0 0 Naphthyridine XVII.E-6

5050. 1 0 0 Naphthyridine, C2-alkyl- XVII.E-6

5051. 1 0 0 Naphthyridine, 3-butyryl- XVII.E-6

5052. 1 0 0 Naphthyridine, 3-methyl- XVII.E-6

191


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Chapter

Table

5053. 254-79-5 1 0 0 1,5-Naphthyridine

{1,5-diazanaphthalene; pyrido[3,2-b]pyridine}

XVII.E-6

5054. 18937-71-8 1 0 0 1,5-Naphthyridine, 3-methyl- XVII.E-6

5055. 253-72-5 1 0 0 1,6-Naphthyridine


XVII.E-6


5057. 253-69-0 1 0 0 1,7-Naphthyridine


XVII.E-6

5058. 254-60-4 1 0 0 1,8-Naphthyridine


XVII.E-6

5059. 14757-45-0 1 0 0 1,8-Naphthyridine, 2,6-dimethyl- XVII.E-6


5061. 40000-89-3 1 0 0 1,8-Naphthyridin-2(1H)-one, 3-methyl- XVII.E-6

5062. 8002-65-1 0 1 0 Neem oil XXI-3

5063. 7440-00-8 1 1 1 Neodymium Ne XX-5

5064. 7440-02-0 1 1 1 Nickel Ni XX-5

5065. 12612-55-4 1 0 0 Nickel carbonyl Ni(CO)4 XX-6

5066. 7440-03-1 1 0 0 Niobium Nb XX-5

5067. 14797-55-8 1 1 1 Nitrate NO3-

XX-6

5068. 125239-87-4 1 0 0 Nitrate, peroxy- XX-6

5069. 7697-37-2 1 1 1 Nitric acid HO-NO2 XX-6

5070. 7757-79-1 0 1 0 Nitric acid, potassium salt KO-NO2 XX-6

5071. 98-58-3 1 0 0 Nitric acid, methyl ester H3C-O-NO2 V-3

5072. 7631-99-4 0 1 0 Nitric acid, sodium salt NaO-NO2 XX-6

5073. 14797-65-0 1 1 1 Nitrite O=N-O-1 XX-6

5074. 19059-14-4 1 0 0 Nitrite, peroxy- XX-6

5075. 1 0 0 Nitrite radical O-N=O XXVII-1

5076. 7727-37-9 1 1 1 Nitrogen N2 XX-5

5077. 11104-93-1 1 0 0 Nitrogen oxide XIX-5

5078. 10024-97-2 1 1 1 Nitrogen oxide {nitrous oxide} N2O XIX-5

5079. 10102-43-9 1 1 1 Nitrogen oxide {nitric oxide} NO XXVII-1

5080. 10102-44-0 1 0 0 Nitrogen oxide {nitrogen dioxide} NO2 XIX-5

5081. 1 1 1 Nitrogen oxides N2O + NO + NO2 XIX-5

5082. 35576-91-1 1 0 0 Nitrosamide H2N-N=O XIII-1

5083. 1 1 1 N-Nitrosamines {GENERAL DISCUSSION} XV

5084. 7782-77-6 1 0 0 Nitrous acid HO-N=O XX-6

5085. 109-95-5 1 0 0 Nitrous acid, ethyl ester H3C-CH2-ON=O V-3

192


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Chapter

Table

5086. 624-91-9 1 1 1 Nitrous acid, methyl ester H3C-ON=O V-3

5087. 630-03-5 1 1 1 Nonacosane H3C-(CH2)27-CH3 I.A-10

5088. 1560-75-4 1 1 1 Nonacosane, 2-methyl- (H3C)2=CH-(CH2)26-CH3 I.A-10

5089. 14167-67-0 1 1 1 Nonacosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)25-CH3 I.A-10

5090. 4250-38-8 1 0 0 Nonacosanoic acid H3C-(CH2)27-COOH IV.A-3

5091. 121878-05-5 1 1 1 Nonacosanoic acid, docosyl ester H3C-(CH2)27-COO-(CH2)21-CH3 V-3

5092. 121877-94-9 1 1 1 Nonacosanoic acid, eicosyl ester H3C-(CH2)27-COO-(CH2)19-CH3 V-3

5093. 39815-65-1 0 1 0 Nonacosanoic acid, 4-(2-hydroxyethyl)phenyl ester V-3

5094. 0 1 0 1-Nonacosanol H3C-(CH2)27-CH2OH II.A-5

5095. 1 0 0 1-Nonacosene H2C=CH-(CH2)26-CH3 I.B-1

5096. 1 0 0 1-Nonacosene, 2-methyl- H2C=C(CH3)-(CH2)26-CH3 I.B-1

5097. 1 0 0 2-Nonacoscene, (Z)- H3C-CH=CH-(CH2)25-CH3 I.B-1

5098. 1 0 0 2-Nonacoscene, (E)- I.B-1

5099. 1 0 0 2-Nonacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)25-CH3 I.B-1

5100. 1 0 0 2-Nonacosene, 27-methyl-, (Z)- H3C-CH=CH-(CH2)23-CH(CH3)-CH2-CH3

I.B-1

5101. 1 0 0 2-Nonacosene, 27-methyl-, (E)- I.B-1

5102. 1 0 0 2-Nonacosene, 28-methyl-, (Z)- H3C-CH=CH-(CH2)24-CH(CH3)2 I.B-1

5103. 1 0 0 2-Nonacosene, 28-methyl-, (E)- I.B-1

5104. 629-92-5 1 1 1 Nonadecane H3C-(CH2)17-CH3 I.A-10

5105. 1 0 0 Nonadecane, methyl- I.A-10

5106. 0 1 0 Nonadecane, 3-methyl- H3C-(CH2)15-CH(CH3)-CH2-CH3 I.A-10

5107. 646-30-0 1 1 1 Nonadecanoic acid H3C-(CH2)17-COOH IV.A-3

5108. 42232-76-8 1 1 1 Nonadecanoic acid, docosyl ester H3C-(CH2)17-COO-(CH2)21-CH3 V-3

5109. 42232-66-6 1 1 1 Nonadecanoic acid, dodecyl ester H3C-(CH2)17-COO-(CH2)11-CH3 V-3

5110. 36610-54-5 1 1 1 Nonadecanoic acid, eicosyl ester H3C-(CH2)17-COO-(CH2)19-CH3 V-3

5111. 42232-75-7 1 1 1 Nonadecanoic acid, heneicosyl ester H3C-(CH2)17-COO-(CH2)20-CH3 V-3

5112. 1 1 1 Nonadecanoic acid, heptacosyl ester H3C-(CH2)17-COO-(CH2)26-CH3 V-3

5113. 36610-51-2 1 1 1 Nonadecanoic acid, heptadecyl ester H3C-(CH2)17-COO-(CH2)16-CH3 V-3

5114. 1 1 1 Nonadecanoic acid, hexacosyl ester H3C-(CH2)17-COO-(CH2)25-CH3 V-3

5115. 36610-50-1 1 1 1 Nonadecanoic acid, hexadecyl ester H3C-(CH2)17-COO-(CH2)15-CH3 V-3

5116. 1731-94-8 0 1 0 Nonadecanoic acid, methyl ester H3C-(CH2)17-COO-CH3 V-3

5117. 36610-53-4 1 1 1 Nonadecanoic acid, nonadecyl ester H3C-(CH2)17-COO-(CH2)18-CH3 V-3

5118. 36610-52-3 1 1 1 Nonadecanoic acid, octadecyl ester H3C-(CH2)17-COO-(CH2)17-CH3 V-3

5119. 1 1 1 Nonadecanoic acid, pentacosyl ester H3C-(CH2)17-COO-(CH2)24-CH3 V-3

5120. 36610-49-8 1 1 1 Nonadecanoic acid, pentadecyl ester H3C-(CH2)17-COO-(CH2)14-CH3 V-3

5121. 121877-66-5 1 1 1 Nonadecanoic acid, tetracosyl ester H3C-(CH2)17-COO-(CH2)23-CH3 V-3

5122. 36610-48-7 1 1 1 Nonadecanoic acid, tetradecyl ester H3C-(CH2)17-COO-(CH2)13-CH3 V-3

5123. 42232-77-9 1 1 1 Nonadecanoic acid, tricosyl ester H3C-(CH2)17-COO-(CH2)22-CH3 V-3

5124. 36610-47-6 1 1 1 Nonadecanoic acid, tridecyl ester H3C-(CH2)17-COO-(CH2)12-CH3 V-3

5125. 53254-53-8 1 1 1 Nonadecanoic acid, 17-methyl- H3C-CH2-CH(CH3)-(CH2)15-COOH IV.A-3

193


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Chapter

Table

5126. 121877-54-1 1 1 1 Nonadecanoic acid, 17-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)20-CH3

V-3

5127. 121877-69-8 1 1 1 Nonadecanoic acid, 17-methyl-, tetracosyl ester H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)23-CH3

V-3

5128. 121877-59-6 1 1 1 Nonadecanoic acid, 17-methyl-, tricosyl ester H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)22-CH3

V-3

5129. 6250-72-2 1 1 1 Nonadecanoic acid, 18-methyl- (H3C)2=CH-(CH2)16-COOH IV.A-3

5130. 145090-31-9 0 1 0 Nonadecanoic acid, 18-methyl-, 2-(acetyloxy)-1-(hydroxymethyl)ethyl ester

V-3

5131. 1 1 1 Nonadecanoic acid, 18-methyl-, eicosyl ester (H3C)2=CH-(CH2)16-COO-(CH2)19-CH3

V-3

5132. 150643-41-7 0 1 0 Nonadecanoic acid, 18-methyl-, ester with 1,2,3-propanetriol monoacetate mono(16-methylheptadecanoate)

V-3

5133. 121877-51-8 1 1 1 Nonadecanoic acid, 18-methyl-, heneicosyl ester (H3C)2=CH-(CH2)16-COO-(CH2)20-CH3

V-3

5134. 121877-37-0 1 1 1 Nonadecanoic acid, 18-methyl-, nonadecyl ester (H3C)2=CH-(CH2)16-COO-(CH2)18-CH3

V-3

5135. 71607-90-4 1 0 0 Nonadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

5136. 52783-43-4 1 0 0 Nonadecanol II.A-5

5137. 1 1 1 1-Nonadecanol H3C-(CH2)17-CH2OH II.A-5

5138. 6809-52-5 1 1 1 5,9,13,17-Nonadecatetraen-2-one, 6,10,14,18-tetramethyl-

III-13

5139. 27400-77-7 1 0 0 Nonadecene H-(CH2)n-CH=CH-(CH2)(17-n)-H I.B-1

5140. 18435-45-5 1 1 1 1-Nonadecene H2C=CH-(CH2)16-CH3 I.B-1

5141. 1 0 0 1-Nonadecene, 2-methyl- H2C=C(CH3)-(CH2)16-CH3 I.B-1

5142. 1 0 0 2-Nonadecene, (Z)- H3C-CH=CH-(CH2)15-CH3 I.B-1

5143. 1 0 0 2-Nonadecene, (E)- I.B-1

5144. 1 0 0 2-Nonadecene, 2-methyl- H3C-C(CH3)=CH-(CH2)15-CH3 I.B-1

5145. 1 0 0 2-Nonadecene, 17-methyl-, (Z)- H3C-CH=CH-(CH2)13-CH(CH3)-CH2-CH3

I.B-1

5146. 1 0 0 2-Nonadecene, 17-methyl-, (E)- I.B-1

5147. 1 0 0 2-Nonadecene, 18-methyl-, (Z)- H3C-CH=CH-(CH2)14-CH(CH3)2 I.B-1

5148. 1 0 0 2-Nonadecene, 18-methyl-, (E)- I.B-1

5149. 6750-03-4

5910-87-2

1 1 1 2,4-Nonadienal, (E,E)- III-12

5150. 0 1 0 2,4-Nonadienal, 6-methyl- III-12

5151. 0 1 0 2,4-Nonadienal, 8-methyl- III-12

5152. 26370-28-5 0 1 0 2,6-Nonadienal {leaf aldehyde violet} III-12

5153. 557-48-2 0 1 0 2,6-Nonadienal, (E,Z)- III-12

5154. 129777-21-5 0 1 0 2,6-Nonadienal, 2-methyl-5-(1-methylethyl)-8-oxo-, (E,E)-(+)-

III-12, III-13

5155. 71030-52-9 0 1 0 Nonadiene I.B-1

5156. 0 1 0 Nonadienoic acid IV.A-3

194


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Chapter

Table

5157. 0 1 0 2,4-Nonadienoic acid, 2,3-dimethyl- IV.A-3

5158. 60026-10-0 0 1 0 2,6-Nonadienoic acid IV.A-3

5159. 23605-13-2 0 1 0 2,6-Nonadienoic acid, (E,Z)- IV.A-3

5160. 70898-29-2 0 1 0 2,7-Nonadienoic acid, (E,Z)- IV.A-3

5161. 0 1 0 4,6-Nonadienoic acid IV.A-3

5162. 7786-44-9 0 1 0 2,6-Nonadien-1-ol II.A-5

5163. 28069-72-9 0 1 0 2,6-Nonadien-1-ol, (E,Z)- II.A-5

5164. 56805-23-3 0 1 0 3,6-Nonadien-1-ol II.A-5

5165. 53046-97-2 0 1 0 3,6-Nonadien-1-ol, (Z,Z)- II.A-5

5166. 38713-12-1 0 1 0 3,7-Nonadien-1-ol, 4,8-dimethyl- {homogeraniol} II.A-5

5167. 459-88-1 0 1 0 3,7-Nonadien-1-ol, 4,8-dimethyl-, (E)- II.A-5

5168. 150405-75-7 0 1 0 6,8-Nonadien-2-ol, 8-methyl-5-(3-methylbutyl)- II.A-5

5169. 40525-38-0

64130-24-1

1 1 1 6,8-Nonadien-2-ol, 8-methyl-5-(1-methylethyl)- {solanol}

{solanol isomer}

II.A-5

5170. 0 1 0 3,7-Nonadien-2-one, 4,8-dimethyl- III-13

5171. 0 1 0 3,8-Nonadien-2-one, 4,8-dimethyl- III-13

5172. 123695-65-8 1 0 0 5,7-Nonadien-2-one, 8-hydroxy-5-(1-methylethyl)-, (E,Z)-

III-13

5173. 1 1 1 5,7-Nonadien-2-one, 8-methyl-5-(1-methylethyl)- {isosolanone}

III-13

5174. 60714-16-1 0 1 0 6,8-Nonadien-2-one, 6-methyl-5-(1-methylethenyl)- III-13

5175. 2278-53-7 0 1 0 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, [R-(E)]-

III-13

5176. 1937-54-8 1 1 1 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, [S-(E)]- {solanone}

O

III-13

5177. 54868-48-3 0 1 0 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (E)-

III-13

5178. 124-19-6 1 1 1 Nonanal {pelargonaldehyde} H3C-(CH2)7-CH=O III-12

5179. 111-84-2 1 1 1 Nonane H3C-(CH2)7-CH3 I.A-10

5180. 1 0 0 Nonane, 4-acetyl-2,6,8-trimethyl- III-13

5181. 871-83-0 1 0 0 Nonane, 2-methyl- I.A-10

5182. 51655-64-2 1 0 0 Nonane, 3-methylene- I.B-1

5183. 123-99-9 1 1 1 Nonanedioic acid {azelaic acid} HOOC-(CH2)7-COOH IV.A-3

5184. 3937-56-2 0 1 0 1,9-Nonanediol HOCH2-(CH2)7-CH2OH II.A-5

5185. 55023-56-8 1 1 1 2,8-Nonanediol, 5-(1-methylethyl)- II.A-5

5186. 0 1 0 2,5-Nonanedione III-13

5187. 0 1 0 2,7-Nonanedione, 8-hydroxy-8-methyl-5-(1-methylethyl)-

II.A-5, III-13

195


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Chapter

Table

5188. 55023-57-9 1 1 1 2,8-Nonanedione, 5-(1-methylethyl)- {norsolanadione}

O

O

III-13

5189. 38284-28-5 0 1 0 2,5,8-Nonanetrione III-13

5190. 112-05-0 1 1 1 Nonanoic acid {pelargonic acid} H3C-(CH2)7-COOH IV.A-3

5191. 123-29-5 0 1 0 Nonanoic acid, ethyl ester H3C-(CH2)7-COO-C2H5 V-3

5192. 1731-84-6 0 1 0 Nonanoic acid, methyl ester H3C-(CH2)7-COO-CH3 V-3

5193. 41653-89-8 0 1 0 Nonanoic acid, 7-methyl- IV.A-3

5194. 6064-52-4 0 1 0 Nonanoic acid, 4-oxo- III-13, IV.A-3

5195. 143-08-8 1 1 1 1-Nonanol H3C-(CH2)7-CH2OH II.A-5

5196. 1 0 0 4-Nonanol, 2,6,8-trimethyl- II.A-5

5197. 821-55-6 1 1 1 2-Nonanone H3C-(CH2)6-CO-CH3 III-13

5198. 58002-07-6 0 1 0 2-Nonanone, 6,7-epoxy-8-hydroxy-5-(1-methylethyl)-

III-13

5199. 55023-54-6 0 1 0 2-Nonanone, 8-hydroxy-5-(1-methylethyl)- III-13

5200. 1 0 0 4-Nonanone, 2,6,8-trimethyl III-13

5201. 0 1 0 5-Nonanone, 2,8-dimethyl-7,8-epoxy- III-13

5202. 68-26-8 0 1 0 2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)- {retinol}

II.A-5

5203. 1 1 1 Nonatriacontane H3C-(CH2)37-CH3 I.A-10

5204. 0 1 0 3,5,7-Nonatrien-2-one III-13

5205. 2463-53-8 1 1 1 2-Nonenal H3C-(CH2)5-CH=CH-CH=O III-12

5206. 18829-56-6 0 1 0 2-Nonenal, (E)- III-12

5207. 0 1 0 2-Nonenal, 2,3-dimethyl-8-oxo- III-12, III-13

5208. 2277-19-2 0 1 0 6-Nonenal, (Z)- III-12

5209. 1 0 0 1-Nonene H3C-(CH2)6-CH=CH2 I.B-1

5210. 1 0 0 2-Nonene, 3-methyl- I.B-1

5211. 53966-53-3 1 0 0 3-Nonene, 2-methyl- H3C-(CH2)4-CH=CH-CH=(CH3)2 I.B-1

5212. 55023-53-5 1 1 1 3-Nonene-2,8-diol, 5-(1-methylethyl)- II.A-5

5213. 38372-56-4 1 1 1 3-Nonene-2,8-dione {norsolanadione} III-13

5214. 60619-46-7

35953-21-0

1 1 1 3-Nonene-2,8-dione, 5-(1-methylethyl)-, [S-(E)]- {oxysolanone}

III-13

5215. 37822-76-7 0 1 0 Nonenoic acid, methyl ester V-3

5216. 3760-11-0 0 1 0 2-Nonenoic acid H3C-(CH2)5-CH=CH-COOH IV.A-3

5217. 14812-03-4 0 1 0 2-Nonenoic acid, (E)- IV.A-3

5218. 4124-88-3 0 1 0 3-Nonenoic acid IV.A-3

5219. 41653-98-9 0 1 0 3-Nonenoic acid, (Z)- IV.A-3

5220. 41653-99-0 0 1 0 6-Nonenoic acid, (Z)- IV.A-3

5221. 31642-67-8 0 1 0 8-Nonenoic acid IV.A-3

5222. 31502-14-4 0 1 0 2-Nonen-1-ol H3C-(CH2)5-CH=CH-CH2OH II.A-5

5223. 10340-23-5 0 1 0 3-Nonen-1-ol, (Z)- II.A-5

196


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Selected structures

Chapter

Table

5224. 68985-18-2 0 1 0 2-Nonen-4-one, 3-methyl-, (E)- III-13

5225. 65017-85-8 0 1 0 2-Nonen-4-one, 8-hydroxy-3-methyl-, (E)- II.A-5, III-13

5226. 0 1 0 5-Nonen-2-one, 8-hydroxy-8-methyl-5-(1-methylethyl)-

II.A-5, III-13

5227. 55023-59-1 0 1 0 6-Nonen-2-one, 8-hydroxy-8-methyl-5-(1-methylethyl)-

II.A-5, III-13

5228. 57934-86-8 0 1 0 6-Nonen-2-one, 8-hydroxy-8-methyl-5-(1-methylethyl)-, (E)-(±)-

II.A-5, III-13

5229. 55023-52-4 0 1 0 6-Nonen-2-one, 8-hydroxy-5-(1-methylethyl)- II.A-5, III-13

5230. 77288-95-0 0 1 0 6-Nonen-2-one, 8,9-dihydroxy-8-methyl-5-(1-methylethyl)-, [R-[R*,S*-(E)]]-

II.A-5, III-13

5231. 77288-96-1 0 1 0 6-Nonen-2-one, 8,9-dihydroxy-8-methyl-5-(1-methylethyl)-, [S-[R*,R*-(E)]]-

II.A-5, III-13

5232. 3452-09-3 1 0 0 1-Nonyne HC≡C-(CH2)6-CH3 I.B-1

5233. 18444-66-1 0 1 0 19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-,

(9β,10α,16α,23E)-

II.A-5, III-13, V-3

5234. 17278-28-3 0 1 0 19-Norlanosta-5,23-diene-2,11,22-trione, 25-(acetyloxy)-3,16,20-trihydroxy-9-methyl-,

(3α,9β,10α,16α,23E)-

II.A-5, III-13, V-3

5235. 89647-62-1 0 1 0 19-Norlanosta-5,23-diene-2,11,22-trione, 25-(acetyloxy)-3,16,20-trihydroxy-9-methyl-,

(3β,9β,10α,16α,23E)-

II.A-5, III-13, V-3

5236. 5157-09-5 0 1 0 Norleucine {2-aminohexanoic acid} H3C-(CH2)3-CH(NH2)-COOH


5237. 9026-81-7 0 1 0 Nuclease XXII-2

5238. 9003-98-9 0 1 0 Nuclease, deoxyribo- XXII-2

5239. 9055-11-2 0 1 0 Nuclease, endo- XXII-2

5240. 59977-50-3 0 1 0 Nuclease, mammalian deoxyribonucleate-nicking endo-

XXII-2

5241. 9001-99-4 0 1 0 Nuclease, ribo- XXII-2

5242. 9025-44-9 0 1 0 Nucleosidase XXII-2

5243. 9033-33-4 0 1 0 Nucleotidase XXII-2

5244. 9012-90-2 0 1 0 Nucleotidyltransferase, deoxyribonucleate XXII-2

5245. 9068-38-6 0 1 0 Nucleotidyltransferase, deoxyribonucleate, RNA-dependent

XXII-2

5246. 9014-12-4 0 1 0 Nucleotidyltransferase, polyribonucleotide XXII-2

5247. 9014-24-8 0 1 0 Nucleotidyltransferase, ribonucleate XXII-2

5248. 9026-28-2 0 1 0 Nucleotidyltransferase, ribonucleate, RNA-dependent

XXII-2

5249. 66328-00-5 1 0 0 2,6,10,14,18,22,26-Octacosaheptaene, 2,6,10,14,18,22,26-heptamethyl-, (all-E)-

I.B-1

5250. 630-02-4 1 1 1 Octacosane H3C-(CH2)26-CH3 I.A-10

5251. 1560-98-1 1 1 1 Octacosane, 2-methyl- (H3C)2=CH-(CH2)25-CH3 I.A-10

5252. 65820-58-8 1 1 1 Octacosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)24-CH3 I.A-10

5253. 506-48-9 1 1 1 Octacosanoic acid H3C-(CH2)26-COOH IV.A-3

5254. 121878-02-2 1 1 1 Octacosanoic acid, docosyl ester H3C-(CH2)26-COO-(CH2)21-CH3 V-3

197


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Chapter

Table

5255. 1 1 1 Octacosanoic acid, dodecyl ester H3C-(CH2)26-COO-(CH2)11-CH3 V-3

5256. 121877-91-6 1 1 1 Octacosanoic acid, eicosyl ester H3C-(CH2)26-COO-(CH2)19-CH3 V-3

5257. 1 1 1 Octacosanoic acid, ester with olean-12-en-3-ol,

(3β)- {β-amyrenyl octacosanoate)

V-3

5258. 121877-95-0 1 1 1 Octacosanoic acid, heneicosyl ester H3C-(CH2)26-COO-(CH2)20-CH3 V-3

5259. 1 1 1 Octacosanoic acid, heptacosyl ester H3C-(CH2)26-COO-(CH2)26-CH3 V-3

5260. 1 1 1 Octacosanoic acid, heptadecyl ester H3C-(CH2)26-COO-(CH2)16-CH3 V-3

5261. 1 1 1 Octacosanoic acid, hexacosyl ester H3C-(CH2)26-COO-(CH2)25-CH3 V-3

5262. 80756-16-7 1 1 1 Octacosanoic acid, hexadecyl ester H3C-(CH2)26-COO-(CH2)15-CH3 V-3

5263. 1 1 1 Octacosanoic acid, nonadecyl ester H3C-(CH2)26-COO-(CH2)18-CH3 V-3

5264. 95415-29-5 1 1 1 Octacosanoic acid, octadecyl ester H3C-(CH2)26-COO-(CH2)17-CH3 V-3

5265. 1 1 1 Octacosanoic acid, pentacosyl ester H3C-(CH2)26-COO-(CH2)24-CH3 V-3

5266. 1 1 1 Octacosanoic acid, pentadecyl ester H3C-(CH2)26-COO-(CH2)14-CH3 V-3

5267. 80252-40-0 1 1 1 Octacosanoic acid, tetracosyl ester H3C-(CH2)26-COO-(CH2)23-CH3 V-3

5268. 28570-28-7 1 1 1 Octacosanoic acid, tetradecyl ester H3C-(CH2)26-COO-(CH2)13-CH3 V-3

5269. 1 1 1 Octacosanoic acid, tricosyl ester H3C-(CH2)26-COO-(CH2)22-CH3 V-3

5270. 1 1 1 Octacosanoic acid, tridecyl ester H3C-(CH2)26-COO-(CH2)12-CH3 V-3

5271. 121878-04-4 1 1 1 Octacosanoic acid, 26-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)24-COO-(CH2)21-CH3

V-3

5272. 557-61-9 1 1 1 1-Octacosanol {montanyl alcohol} H3C-(CH2)26-CH2OH II.A-5

5273. 0 1 0 1-Octacosanol, 26-methyl- II.A-5

5274. 0 1 0 1-Octacosanol, 27-methyl- II.A-5

5275. 18835-34-2 1 0 0 1-Octacosene H3C-(CH2)25-CH=CH2 I.B-1

5276. 1 0 0 1-Octacosene, 2-methyl- H2C=C(CH3)-(CH2)25-CH3 I.B-1

5277. 1 0 0 2-Octacosene, (Z)- H3C-CH=CH-(CH2)24-CH3 I.B-1

5278. 1 0 0 2-Octacosene, (E)- I.B-1

5279. 1 0 0 2-Octacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)24-CH3 I.B-1

5280. 1 0 0 2-Octacosene, 26-methyl-, (Z)- H3C-CH=CH-(CH2)23-CH(CH3)-CH2-CH3

I.B-1

5281. 1 0 0 2-Octacosene, 26-methyl-, (E)- I.B-1

5282. 1 0 0 2-Octacosene, 27-methyl-, (Z)- H3C-CH=CH-(CH2)23-CH(CH3)2 I.B-1

5283. 1 0 0 2-Octacosene, 27-methyl-, (E)- I.B-1

5284. 26764-25-0 1 0 0 Octadecadienoic acid IV.A-3

5285. 28984-77-2 0 1 0 Octadecadienoic acid, (Z,Z)- IV.A-3

5286. 97145-16-9 0 1 0 Octadecadienoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (all-Z)-

V-3

5287. 97190-11-9 0 1 0 Octadecadienoic acid, ester with 1,2,3-propanetriol 1-(2-aminoethyl hydrogen phosphate) hexadecanoate

V-3

5288. 97190-13-1 0 1 0 Octadecadienoic acid, ester with 1,2,3-propanetriol 1-(2-aminoethyl hydrogen phosphate) octadecanoate, (Z,Z)-

V-3

5289. 28061-47-4 0 1 0 Octadecadienoic acid, methyl ester V-3

198


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Chapter

Table

5290. 97210-24-7 0 1 0 Octadecadienoic acid, monoester with 1,2,3-propanetriol 1,1'-(hydrogen phosphate) mono-3-hexadecenoate, [R-[R*,S*-(E)]]-

V-3

5291. 60-33-3 1 1 1 9,12-Octadecadienoic acid, (Z,Z)- {linoleic acid} IV.A-3

5292. 506-21-8 1 1 1 9,12-Octadecadienoic acid, (E,E)- {linoleic acid} H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7-COOH IV.A-3

5293. 26836-35-1 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, ester with 1,2,3-propanetriol monohexadecanoate mono[(Z)-9-octadecenoate]

V-3

5294. 544-35-4 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, ethyl ester {ethyl linoleate}

H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7-COO-C2H5 V-3

5295. 4546-59-2 0 1 0 9,12-Octadecadienoic acid, 18-hydroxy-, (Z,Z)- IV.A-3

5296. 2462-85-3 0 1 0 9,12-Octadecadienoic acid, methyl ester V-3

5297. 112-63-0 1 1 1 9,12-Octadecadienoic acid (Z,Z)-, methyl ester {methyl linoleate}

H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7-COO-CH3 V-3

5298. 26836-38-4 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, monoester with 1,2,3-propanetriol monooctadecanoate mono-9-octadecenoate, (Z)-

V-3

5299. 28880-78-6 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, monoester with 1,2,3-propanetriol bis[(Z)-9-octadecenoate]

V-3

5300. 34521-51-2 0 1 0 9,12-Octadecadienoic acid (Z,Z)-, monoester with 1,2,3-propanetriol dioctadecanoate

V-3

5301. 70495-60-2 1 1 1 9,12-Octadecadienoic acid (Z,Z)-, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexa-triacontanonaenyl ester

V-3

5302. 53950-59-7 1 0 0 9,12-Octadecadienoic acid (Z,Z)-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

5303. 506-43-4 0 1 0 9,12-Octadecadien-1-ol, (Z,Z)- II.A-5

5304. 56847-03-1 1 0 0 Octadecadiynoic acid, methyl ester V-3

5305. 593-45-3 1 1 1 Octadecane H3C-(CH2)16-CH3 I.A-10

5306. 1560-88-9 0 1 0 Octadecane, 2-methyl- H3C-(CH2)15-CH=(CH3)2 I.A-10

5307. 0 1 0 Octadecane, 3-methyl- H3C-(CH2)14-CH(CH3)-CH2-CH3 I.A-10

5308. 554-62-1 0 1 0 1,3,4-Octadecanetriol, 2-amino-, [2S-(2R*,3R*,4S*)]-

II.A-5, XII-2

5309. 57-11-4 1 1 1 Octadecanoic acid {stearic acid} H3C-(CH2)16-COOH IV.A-3

5310. 22413-03-2 1 1 1 Octadecanoic acid, docosyl ester H3C-(CH2)16-COO-(CH2)21-CH3 V-3

5311. 5303-25-3 1 1 1 Octadecanoic acid, dodecyl ester H3C-(CH2)16-COO-(CH2)11-CH3 V-3

5312. 22413-02-1 1 1 1 Octadecanoic acid, eicosyl ester H3C-(CH2)16-COO-(CH2)19-CH3 V-3

5313. 111-61-5 1 1 1 Octadecanoic acid, ethyl ester {ethyl stearate} H3C-(CH2)16-COO-CH2-CH3 V-3

5314. 42232-59-7 1 1 1 Octadecanoic acid, heneicosyl ester H3C-(CH2)16-COO-(CH2)20-CH3 V-3

5315. 121877-78-9 1 1 1 Octadecanoic acid, heptacosyl ester H3C-(CH2)16-COO-(CH2)26-CH3 V-3

5316. 18299-82-6 1 1 1 Octadecanoic acid, heptadecyl ester H3C-(CH2)16-COO-(CH2)16-CH3 V-3

5317. 58886-94-5 1 1 1 Octadecanoic acid, hexacosyl ester H3C-(CH2)16-COO-(CH2)25-CH3 V-3

5318. 1190-63-2 1 1 1 Octadecanoic acid, hexadecyl ester H3C-(CH2)16-COO-(CH2)15-CH3 V-3

5319. 1330-70-7 0 1 0 Octadecanoic acid, hydroxy- IV.A-3

5320. 3155-42-8 0 1 0 Octadecanoic acid, 18-hydroxy- HOCH2-(CH2)16-COOH IV.A-3

199


CAS No.

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T

S

T


Selected structures

Chapter

Table

5321. 112-61-8 1 1 1 Octadecanoic acid, methyl ester H3C-(CH2)16-COO-CH3 V-3

5322. 121877-86-9 1 1 1 Octadecanoic acid, nonacosyl ester H3C-(CH2)16-COO-(CH2)28-CH3 V-3

5323. 36610-45-4 1 1 1 Octadecanoic acid, nonadecyl ester H3C-(CH2)16-COO-(CH2)18-CH3 V-3

5324. 70495-59-9 1 1 1 Octadecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester

V-3

5325. 63317-82-8 1 1 1 Octadecanoic acid, octacosyl ester H3C-(CH2)16-COO-(CH2)27-CH3 V-3

5326. 2778-96-3 1 1 1 Octadecanoic acid, octadecyl ester H3C-(CH2)16-COO-(CH2)17-CH3 V-3

5327. 121877-65-4 1 1 1 Octadecanoic acid, pentacosyl ester H3C-(CH2)16-COO-(CH2)24-CH3 V-3

5328. 18299-80-4 1 1 1 Octadecanoic acid, pentadecyl ester H3C-(CH2)16-COO-(CH2)14-CH3 V-3

5329. 42232-61-1 1 1 1 Octadecanoic acid, tetracosyl ester H3C-(CH2)16-COO-(CH2)23-CH3 V-3

5330. 17661-50-6 1 1 1 Octadecanoic acid, tetradecyl ester H3C-(CH2)16-COO-(CH2)13-CH3 V-3

5331. 63317-83-9 1 1 1 Octadecanoic acid, triacontyl ester H3C-(CH2)16-COO-(CH2)29-CH3 V-3

5332. 42232-60-0 1 1 1 Octadecanoic acid, tricosyl ester H3C-(CH2)16-COO-(CH2)22-CH3 V-3

5333. 31556-45-3 1 1 1 Octadecanoic acid, tridecyl ester H3C-(CH2)16-COO-(CH2)12-CH3 V-3

5334. 17001-28-4 1 1 1 Octadecanoic acid, 16-methyl- H3C-CH2-CH(CH3)-(CH2)14-COOH IVA-3

5335. 121877-53-0 1 1 1 Octadecanoic acid, 16-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)14-COO-(CH2)21-CH3

V-3

5336. 121877-75-6 1 1 1 Octadecanoic acid, 16-methyl-, hexacosyl ester H3C-CH2-CH(CH3)-(CH2)14-COO-(CH2)25-CH3

V-3

5337. 2724-59-6 0 1 0 Octadecanoic acid, 17-methyl- (H3C)2=CH-(CH2)15-COOH IV.A-3

5338. 0 1 0 Octadecanoic acid, 17-methyl-, methyl ester (H3C)2=CH-(CH2)15-COO-CH3 V-3

5339. 62172-54-7 1 0 0 Octadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

5340. 112-92-5 1 1 1 1-Octadecanol {stearyl alcohol} H3C-(CH2)16-CH2OH II.A-5

5341. 2490-01-9 0 1 0 1-Octadecanol, 16-methyl- II.A-5

5342. 51592-59-7 0 1 0 3,6,9,12,15-Octadecapentaenoic acid, (all-Z)- IV.A-3

5343. 25448-06-0 0 1 0 Octadecatetraenoic acid IV.A-3

5344. 25448-03-7 0 1 0 Octadecatrienoic acid IV.A-3

5345. 27213-43-0 0 1 0 Octadecatrienoic acid, (Z,Z,Z)- IV.A-3

5346. 97190-08-4 0 1 0 Octadecatrienoic acid, ester with 1,2,3-propanetriol 1-(2-aminoethyl hydrogen phosphate) octadecadienoate, (all-Z)-

V-3

5347. 97229-62-4 0 1 0 Octadecatrienoic acid, ester with 1,2,3-propanetriol 1-(2-aminoethyl hydrogen phosphate) 2(or 3)-hexadecanoate, (Z,Z,Z)-

V-3

5348. 97229-63-5 0 1 0 Octadecatrienoic acid, ester with 1,2,3-propanetriol 1,1'-(hydrogen phosphate) 2(or 3)-(3-hexadecenoate), [R-(R*,S*)]-

V-3

5349. 29565-44-4 0 1 0 Octadecatrienoic acid, methyl ester V-3

5350. 13296-76-9 1 0 0 9,11,13-Octadecatrienoic acid IV.A-3

5351. 463-40-1 1 1 1 9,12,15-Octadecatrienoic acid, (Z,Z,Z)-

{linolenic acid}

H3C-(CH2CH=CH)3-(CH2)7-COOH IV.A-3

5352. 1 1 1 9,12,15-Octadecatrienoic acid, docosyl ester, (Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)21-CH3

V-3

200


CAS No.

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T

S

T


Selected structures

Chapter

Table

5353. 1 1 1 9,12,15-Octadecatrienoic acid, dodecyl ester, (Z,Z,Z)-


V-3

5354. 1 1 1 9,12,15-Octadecatrienoic acid, eicosyl ester, (Z,Z,Z)-


V-3

5355. 1191-41-9 0 1 0 9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)- H3C-(CH2CH=CH)3-(CH2)7-COOC2H5 V-3

5356. 1 1 1 9,12,15-Octadecatrienoic acid, heneicosyl ester, (Z,Z,Z)-


V-3

5357. 1 1 1 9,12,15-Octadecatrienoic acid, heptacosyl ester, (Z,Z,Z)-


V-3

5358. 1 1 1 9,12,15-Octadecatrienoic acid, heptadecyl ester, (Z,Z,Z)-


V-3

5359. 1 1 1 9,12,15-Octadecatrienoic acid, hexacosyl ester, (Z,Z,Z)-


V-3

5360. 1 1 1 9,12,15-Octadecatrienoic acid, hexadecyl ester, (Z,Z,Z)-


V-3

5361. 51327-73-2 0 1 0 9,12,15-Octadecatrienoic acid, 18-hydroxy-, (Z,Z,Z)- HOCH2-(CH2CH=CH)3-(CH2)7-COOH

IV.A-3

5362. 7361-80-0 1 1 1 9,12,15-Octadecatrienoic acid, methyl ester {methyl linolenate}

H3C-(CH2CH=CH)3-(CH2)7-COOCH3 V-3

5363. 301-00-8 1 1 1 9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)- {methyl linolenate}

H3C-(CH2CH=CH)3-(CH2)7-COO-CH3 V-3

5364. 1 1 1 9,12,15-Octadecatrienoic acid, nonadecyl ester, (Z,Z,Z)-


V-3

5365. 28973-74-2 1 1 1 9,12,15-Octadecatrienoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester

V-3

5366. 17673-60-8 1 1 1 9,12,15-Octadecatrienoic acid, octadecyl ester, (Z,Z,Z)-


V-3

5367. 1 1 1 9,12,15-Octadecatrienoic acid, pentacosyl ester, (Z,Z,Z)-


V-3

5368. 1 1 1 9,12,15-Octadecatrienoic acid, pentadecyl ester, (Z,Z,Z)-


V-3

5369. 1 1 1 9,12,15-Octadecatrienoic acid, tetracosyl ester, (Z,Z,Z)-


V-3

5370. 1 1 1 9,12,15-Octadecatrienoic acid, tetradecyl ester, (Z,Z,Z)-


V-3

5371. 1 1 1 9,12,15-Octadecatrienoic acid, tricosyl ester, (Z,Z,Z)-


V-3

5372. 1 1 1 9,12,15-Octadecatrienoic acid, tridecyl ester, (Z,Z,Z)-


V-3

5373. 30452-68-7 1 0 0 9,12,15-Octadecatrienoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E,Z,Z,Z)]]-

V-3

5374. 506-44-5 1 0 0 9,12,15-Octadecatrien-1-ol, (Z,Z,Z)- II.A-5

5375. 56554-87-1 0 1 0 16-Octadecenal III-12

5376. 27070-58-2 1 0 0 Octadecene H-(CH2)n-CH=CH-(CH2)(16-n)-H I.B-1

201


CAS No.

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T

S

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Selected structures

Chapter

Table

5377. 112-88-9 1 0 0 1-Octadecene H2C=CH-(CH2)15-CH3 I.B-1

5378. 1 0 0 1-Octadecene, 2-methyl- H2C=C(CH3)-(CH2)15-CH3 I.B-1

5379. 1 0 0 2-Octadecene, (Z)- H3C-CH=CH-(CH2)14-CH3 I.B-1

5380. 1 0 0 2-Octadecene, (E)- I.B-1

5381. 1 0 0 2-Octadecene, 2-methyl- H3C-C(CH3)=CH-(CH2)14-CH3 I.B-1

5382. 1 0 0 2-Octadecene, 16-methyl-, (Z)- H3C-CH=CH-(CH2)12-CH(CH3)-CH2-CH3

I.B-1

5383. 1 0 0 2-Octadecene, 16-methyl-, (E)- I.B-1

5384. 1 0 0 2-Octadecene, 17-methyl-, (Z)- H3C-CH=CH-(CH2)13-CH(CH3)2 I.B-1

5385. 1 0 0 2-Octadecene, 17-methyl-, (E) I.B-1

5386. 26764-26-1 1 1 1 Octadecenoic acid {oleic acid} IV.A-3

5387. 112-79-8 1 1 1 Octadecenoic acid, (E)- {elaidic acid} IV.A-3

5388. 27104-13-8 0 1 0 Octadecenoic acid, (Z)- IV.A-3

5389. 93976-10-4 1 1 1 Octadecenoic acid, docosyl ester, (Z)- V-3

5390. 1 1 1 Octadecenoic acid, heneicosyl ester, (Z)- V-3

5391. 93976-08-0 1 1 1 Octadecenoic acid, hexacosyl ester, (Z)- V-3

5392. 27234-05-5 0 1 0 Octadecenoic acid, methyl ester V-3

5393. 93976-09-1 1 1 1 Octadecenoic acid, tetracosyl ester, (Z)- V-3

5394. 112-80-1 1 1 1 9-Octadecenoic acid (Z)- {oleic acid} H3C-(CH2)7-CH=CH-(CH2)7-COOH IV.A-3

5395. 71607-93-7 1 1 1 9-Octadecenoic acid (Z)-, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatria contanonaenyl ester

V-3

5396. 57840-35-4 1 0 0 9-Octadecenoic acid (Z)-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

5397. 36078-10-1 1 1 1 9-Octadecenoic acid (Z)-, dodecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)11-CH3 V-3

5398. 22393-88-0 1 1 1 9-Octadecenoic acid (Z)-, eicosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)19-CH3 V-3

5399. 111-62-6 1 1 1 9-Octadecenoic acid (Z)-, ethyl ester

{ethyl oleate}

H3C-(CH2)7-CH=CH-(CH2)7-COO-C2H5

V-3

5400. 1 1 1 9-Octadecenoic acid (Z)-, heptacosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)26-CH3 V-3

5401. 22393-86-8 1 1 1 9-Octadecenoic acid (Z)-, hexadecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)16-CH3 V-3

5402. 112-62-9 1 1 1 9-Octadecenoic acid (Z)-, methyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-CH3

V-3

5403. 1 1 1 9-Octadecenoic acid (Z)-, nonadecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)18-CH3 V-3

5404. 17673-49-3 1 1 1 9-Octadecenoic acid (Z)-, octadecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)17-CH3 V-3

5405. 1 1 1 9-Octadecenoic acid (Z)-, pentacosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)24-CH3 V-3

5406. 69454-18-8 1 1 1 9-Octadecenoic acid (Z)-, pentadecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)14-CH3 V-3

5407. 1 1 1 9-Octadecenoic acid (Z)-, tetracosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)23-CH3 V-3

202


CAS No.

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Selected structures

Chapter

Table

5408. 22393-85-7 1 1 1 9-Octadecenoic acid (Z)-, tetradecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)13-CH3 V-3

5409. 1 1 1 9-Octadecenoic acid (Z)-, tricosyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)22-CH3 V-3

5410. 75164-73-7 1 1 1 9-Octadecenoic acid (Z)-, tridecyl ester H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)12-CH3 V-3

5411. 104077-09-0 0 1 0 9-Octadecenoic acid, 18-[(1-oxo-9-octadecenyl)oxy]-, 1-(hydroxymethyl)-2- [(1-oxo-9-octadecenyl)oxy]ethyl ester, (Z,Z,Z)-

V-3

5412. 104077-10-3 0 1 0 9-Octadecenoic acid, 18-[(1-oxo-9-octadecenyl)oxy]-, 1-(hydroxymethyl)-1,2-ethanediyl ester, (all-Z)-

V-3

5413. 104100-34-7 0 1 0 9-Octadecenoic acid, 18-[(1-oxo-9-octadecenyl)oxy]-, 2-hydroxy-1,3-propanediyl ester, (all-Z)-

V-3

5414. 104077-06-7 0 1 0 9-Octadecenoic acid, 18-[(1-oxo-9-octadecenyl)oxy]-, 2-hydroxy-3-[(1-oxo-9- octadecenyl)oxy]propyl ester, (Z,Z,Z)-

V-3

5415. 104077-07-8 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-, 2-hydroxy-3-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]propyl ester, (all-Z)-

V-3

5416. 104077-11-4 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-, 1-(hydroxymethyl)-2-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]ethyl ester, (all-Z)-

V-3

5417. 104077-12-5 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-, 1-(hydroxymethyl)-1,2-ethanediyl ester, (all-Z)-

V-3

5418. 104100-35-8 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-, 2-hydroxy-1,3-propanediyl ester, (all-Z)-

V-3

5419. 104077-08-9 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy ]-9-octadecenyl]oxy]-, 2-hydroxy-3-[[1-oxo-18-[[1-oxo-18- [(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-9-octadecenyl]oxy]propyl ester, (all-Z)-

V-3

5420. 104077-13-6 0 1 0 9-Octadecenoic acid, 18-[[1-oxo-18-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy ]-9-octadecenyl]oxy]-, 1-(hydroxymethyl)-2-[[1-oxo-18-[[1-oxo- 18-[(1-oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy]-9-octadecenyl]oxy]ethyl ester, (all-Z)-

V-3

5421. 24753-52-4 0 1 0 9-Octadecenoic acid, 18-hydroxy-, (Z)- II.A-5, IV.A-3

5422. 2462-84-2 0 1 0 9-Octadecenoic acid, methyl ester V-3

5423. 593-47-5 0 1 0 9-Octadecen-1-ol II.A-5

5424. 71899-42-8 0 1 0 5-Octadecyne H3C-(CH2)3-C≡C-(CH2)11-CH3 I.B-1

5425. 5392-40-5 1 1 1 2,6-Octadienal, 3,7-dimethyl- {citral} III-12

5426. 71607-91-5 1 0 0 1,6-Octadiene, 4,7-dimethyl- {2,5-dimethyl-2,7-octadiene}

H2C=CH-C(CH3)=CH-CH2-CH=C(CH3)2

I.B-1

203


CAS No.

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Selected structures

Chapter

Table

5427. 123-35-3 1 1 1 1,6-Octadiene, 7-methyl-3-methylene- {myrcene} H2C=CH-C(=CH2)-(CH2)2-CH=C(CH3)2

I.B-1

5428. 2216-70-8 1 0 0 2,4-Octadiene, 7-methyl- H3C-CH=CH-CH=CH-CH2-CH(CH3)2 I.B-1

5429. 71607-92-6 1 0 0 2,5-Octadiene, 7-methyl- H3C-CH=CH-CH2-CH=CH-CH(CH3)2 I.B-1

5430. 1 0 0 2,6-Octadiene, 2,6-dimethyl- I.B-1

5431. 1 0 0 2,7-Octadiene, 2,7-dimethyl- I.B-1

5432. 66957-95-7 0 1 0 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, [S-(E)]- II.A-5

5433. 0 1 0 Octadienoic acid IV.A-3

5434. 459-80-3 0 1 0 2,6-Octadienoic acid, 3,7-dimethyl- {geranic acid} IV.A-3

5435. 4698-08-2 0 1 0 2,6-Octadienoic acid, 3,7-dimethyl-, (E)- IV.A-3

5436. 4613-38-1 0 1 0 2,6-Octadienoic acid, 3,7-dimethyl-, (Z)- IV.A-3

5437. 64090-50-2 0 1 0 5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)- IV.A-3

5438. 54557-54-9 0 1 0 5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)-, (E)-

IV.A-3

5439. 70687-51-3 0 1 0 5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)-, methyl ester

V-3

5440. 78-70-6 1 1 1 1,6-Octadien-3-ol, 3,7-dimethyl- {linalool}

HO

II.A-5

5441. 1 1 1 1,6-Octadien-3-ol, 3,7-dimethyl-, labeled with 14

C {

linalool-

14C}

XXV-29

5442. 115-95-7 0 1 0 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate {linalyl acetate}

V-3

5443. 115-99-1 0 1 0 1,6-Octadien-3-ol, 3,7-dimethyl-, formate {linalyl formate}

V-3

5444. 106-24-1 1 1 1 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- {geraniol} CH2OH

II.A-5

5445. 106-25-2 0 1 0 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- {nerol} II.A-5

5446. 38284-27-4 0 1 0 3,5-Octadien-2-one III-13

5447. 30086-02-3 0 1 0 3,5-Octadien-2-one, (E,E)- III-13

5448. 124-13-0 1 1 1 Octanal H3C-(CH2)6-CH=O III-12

5449. 107-75-5 0 1 0 Octanal, 7-hydroxy-3,7-dimethyl- {hydroxycitronellal}

III-12

5450. 111-86-4 1 1 1 1-Octanamine H3C-(CH2)6-CH2-NH2 XII-2

5451. 111-65-9 1 1 1 Octane H3C-(CH2)6-CH3 I.A-10

5452. 1 0 0 Octane, dimethyl- C6H12=(CH3)2 I.A-10

5453. 61193-19-9 1 0 0 Octane, methyl- C7H15-CH3 I.A-10

5454. 2216-34-4 0 1 0 Octane, 4-methyl- I.A-10

5455. 71607-64-2 1 0 0 Octane, phenyl- I.A-10, I.D-1

5456. 505-48-6 1 0 0 Octanedioic acid {suberic acid} IV.A-3

5457. 20653-90-1 0 1 0 2,3-Octanediol II.A-5

5458. 585-25-1 1 1 1 2,3-Octanedione III-13

5459. 65716-44-1 0 1 0 2,7-Octanedione, 3,3-dimethyl- III-13

5460. 124-07-2 1 1 1 Octanoic acid {caprylic acid} H3C-(CH2)6-COOH IV.A-3, XXI-3

5461. 14352-59-1 0 1 0 Octanoic acid, 3,3-dimethyl- IV.A-3

204


CAS No.

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S

T


Selected structures

Chapter

Table

5462. 106-32-1 1 1 1 Octanoic acid, ethyl ester {ethyl caprylate} V-3

5463. 111-11-5 0 1 0 Octanoic acid, methyl ester {methyl caprylate} V-3

5464. 3004-93-1 0 1 0 Octanoic acid, 2-methyl- IV.A-3

5465. 16493-80-4 0 1 0 Octanoic acid, 4-ethyl- IV.A-3

5466. 693-19-6 0 1 0 Octanoic acid, 7-methyl- IV.A-3

5467. 70898-30-5 1 1 1 Octanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester, (all-E)-

V-3

5468. 96937-51-8 1 0 0 Octanoic acid, oxo- III-13, IV.A-3

5469. 638-25-5 0 1 0 Octanoic acid, pentyl ester V-3

5470. 70898-31-6 0 1 0 Octanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

5471. 111-87-5 1 1 1 1-Octanol {caprylic alcohol} H3C-(CH2)6-CH2OH II.A-5, XXI-3

5472. 0 1 0 1-Octanol, 3,7-dimethyl-, acetate {tetrahydrogeranyl acetate}

V-3

5473. 123-96-6 1 0 0 2-Octanol H3C-(CH2)5-CHOH-CH3 II.A-5

5474. 589-98-0 0 1 0 3-Octanol II.A-5

5475. 78-69-3 0 1 0 3-Octanol, 3,7-dimethyl- {tetrahydrolinalool} II.A-5

5476. 111-13-7 1 1 1 2-Octanone {hexyl methyl ketone} H3C-(CH2)5-CO-CH3 III-13

5477. 65716-45-2 0 1 0 2-Octanone, 7-hydroxy-3,3-dimethyl-, (±)- II.A-5, III-13

5478. 106-68-3 0 1 0 3-Octanone {ethyl amyl ketone} III-13

5479. 7194-85-6 1 1 1 Octatriacontane H3C-(CH2)36-CH3 I.A-10

5480. 929-20-4 1 0 0 1,3,6-Octatriene H2C=CH-CH=CH-CH2-CH=CH-CH3 I.B-1

5481. 13877-91-3 1 1 1 1,3,6-Octatriene, 3,7-dimethyl- {ocimene} H2C=CH-C(CH3)=CH-CH2-CH=C(CH3)2

I.B-1

5482. 3779-61-1 0 1 0 1,3,6-Octatriene, 3,7-dimethyl-, (E)- I.B-1

5483. 673-84-7 1 0 0 2,4,6-Octatriene, 2,6-dimethyl- {alloöcimene} (H3C)2=C=CH-CH=CH-C(CH3)=CH-CH3

I.B-1

5484. 29414-56-0 1 0 0 1,5,7-Octatrien-3-ol, 2,6-dimethyl- II.A-5

5485. 0 1 0 2-Octenal III-12

5486. 0 1 0 2-Octenal, 4-(1-methylethyl)- III-12

5487. 106-23-0 1 1 1 6-Octenal, 3,7-dimethyl- {citronellal} (H3C) 2=C=CH-(CH2) 2-CH(CH3)-CH2-CH=O

III-12

5488. 71607-54-0 1 0 0 Octene, methyl- I.B-1

5489. 111-66-0 1 0 0 1-Octene {caprylene} H2C=CH-(CH2)5-CH3 I.B-1

5490. 4588-18-5 1 0 0 1-Octene, 2-methyl- H2C=C(CH3)-(CH2)5-CH3 I.B-1

5491. 111-67-1 1 0 0 2-Octene H3C-CH=CH-(CH2)4-CH3 I.B-1

5492. 592-99-4 1 0 0 4-Octene H3C-(CH2)2-CH=CH-(CH2)2-CH3 I.B-1

5493. 28962-27-8 1 0 0 Octenoic acid IV.A-3

5494. 1470-50-4 0 1 0 2-Octenoic acid IV.A-3

5495. 0 1 0 2-Octenoic acid, 4-(1-methylethyl)-7-oxo- III-13, IV.A-3

5496. 0 1 0 4-Octenoic acid, 3-hydroxy-3-methyl- 6-(1-methylethyl)-

II.A-5, IV.A-3

205


CAS No.

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T


Selected structures

Chapter

Table

5497. 0 1 0 4-Octenoic acid, 3-hydroxy-3-methyl-6-(1-methylethyl)-, methyl ester

H3C CH3

CH3

OH

H3C-OOC

H3C

II.A-5, V-3

5498. 41654-08-4 0 1 0 4-Octenoic acid, 6-ethyl-3-hydroxy-3,7-dimethyl- II.A-5


5500. 41653-97-8 0 1 0 5-Octenoic acid, (Z)- IV.A-3

5501. 502-47-6 0 1 0 6-Octenoic acid, 3,7-dimethyl- IV.A-3


5503. 3391-86-4 0 1 0 1-Octen-3-ol II.A-5

5504. 18409-17-1 0 1 0 2-Octen-1-ol, (E)- H3C-(CH2)4-CH=CH-CH2OH II.A-5

5505. 106-22-9 1 1 1 6-Octen-1-ol, 3,7-dimethyl- {dl-citronellol} II.A-5

5506. 6812-78-8

141-25-3

0 1 0 7-Octen-1-ol, 3,7-dimethyl- {rhodinol} II.A-5

5507. 1669-44-9 0 1 0 3-Octen-2-one III-13

5508. 14129-48-7 0 1 0 4-Octen-3-one III-13

5509. 124354-88-7 0 1 0 Octen-4-one, 2,6-dimethyl-, monoepoxy derivative III-13, X-2

5510. 111-12-6 0 1 0 2-Octynoic acid, methyl ester H3C-(CH2)4-C≡C-COO-CH3 V-3

5511. 508-02-1 0 1 0 Olean-12-en-28-oic acid, 3-hydroxy-, (3β)- II.A-5, IV.A-3

5512. 471-53-4 1 0 0 Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-,

(3β,20β)-


5513. 559-70-6 1 1 1 Olean-12-en-3-ol, (3β)- {β-amyrin}

HO

H3C CH3

H3C

CH3

CH3

CH3H3C

CH3

II.A-5, II.B-2

5514. 7006-33-9 1 1 1 Ornithine {2,3-diaminopentanoic acid} H2N-(CH2)3-CH(NH2)-COOH


5515. 70-26-8 1 1 1 L-Ornithine IV.A-3, IV.B-7, XII-2

5516. 20197-09-5 0 1 0 L-Ornithine, N2-(1-carboxyethyl)-, (R)- IV.A-3, IV.B-7, XII-2

5517. 372-75-8 0 1 0 L-Ornithine, N5-(aminocarbonyl)- {citrulline} H2N-CO-NH-(CH2)3-CH(NH2)-COOH

IV.A-3, IV.B-7, XII-2, XIII-1

5518. 7440-04-2 1 1 1 Osmium Os XX-5

5519. 141093-09-6 0 1 0 1-226-Osmotin (Nicotiana tabacum samsun clone pMOG404 reduced)

XXII-2

5520. 141093-08-5 0 1 0 Osmotin (Nicotiana tabacum samsun clone pMOG404 reduced)

XXII-2

5521. 143638-31-7 0 1 0 Osmotin (Nicotiana tabacum samsun clone pTOL1 precursor reduced)

XXII-2

5522. 143638-32-8 0 1 0 Osmotin (Nicotiana tabacum samsun clone pTOL1 reduced)

XXII-2

5523. 131553-54-3 0 1 0 Osmotin (Nicotiana tabacum samsun reduced) XXII-2

5524. 142583-50-4 0 1 0 Osmotin (tobacco clone pVK5 precursor reduced) XXII-2

206


CAS No.

S

T

S

T


Selected structures

Chapter

Table

5525. 142583-51-5 0 1 0 Osmotin (tobacco clone pVK5 reduced) XXII-2

5526. 190-26-1 1 0 0 Ovalene

I.E-6

5527. 38284-11-6 0 1 0 7-Oxabicyclo[4.1.0]heptane-2,5-dione, 1,3,3-trimethyl-

III-13, X-2

5528. 73051-73-7 0 1 0 7-Oxabicyclo[2.2.1]heptan-2-ol, 1-(3-hydroxy-1-butenyl)-2,6,6-trimethyl-

OH

CH3

CH3

OH

O

H3C CH3

II.A-5, X-2


HO

OCH3

CH3

H3C CH3

OH II.A-5, X-2


II.A-5, X-2

5531. 470-82-6 1 1 1 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl- {eucalyptol; 1.8-cineole}

O

CH3

CH3

H3C

X-2

5532. 72693-08-4 1 0 0 6-Oxabicyclo[3.2.1]octan-7-one, 8-hydroxy-1-methyl-

II.A-5

5533. 640-06-2 1 0 0 6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy- {Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, γ -lactone; quinic acid lactone; quinide}

OH

OHHO

O C

O

II.A-5, VI-3

5534. 27783-00-2 1 1 1 6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, (exo,exo)-

II.A-5

5535. 665-27-0 1 0 0 6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-, [1S-(exo,exo)]-

II.A-5, X-2

5536. 98064-77-8 0 1 0 15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5,11-dihydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,5S*,6E,8S*,11R*,

II.A-5, III-13, X-2

H3C CH3

OH

CH3

CH3 OO

OH

H3C

12

3 4

5

6

7

8

9

10

11

5537. 98167-33-0 0 1 0 15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5,11-dihydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,5S*,6E,8S*,11S*,12S*)]-

II.A-5, III-13, X-2

H3C CH3

OH

CH3

CH3 OO

OH

H3C

12

3 4

5

6

78

9

10

11

207


CAS No.

S

T

S

T


Selected structures

Chapter

Table

5538. 98064-76-7 0 1 0 15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5-hydroxy-1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,5S*,6E,8S*,1

II.A-5, III-13, X-2

H3C CH3

OH

CH3

CH3O

H2C

O

12

3 4

5

6

7

89

10

11

12 1314

5539. 121927-14-8 0 1 0 15-Oxabicyclo[10.2.1]pentadec-6-ene-2,3,5-triol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,2S*,3R*,5S*,6E,8

II.A-5, X-2

5540. 57760-48-2 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol, 1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,2E,5S*,6E,8S*,10E,12S*)]-

H3C CH3

OH

CH3

CH3O

H3C

1

2

3

4

5

6

78

9

10

11

II.A-5, X-2

5541. 60047-18-9 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol, 1,5,11-trimethyl-8-(1-methylethyl)-

H3C CH3

OH

CH3

CH3O

H3C

12

3

4

5

6

78

9

10

11

II.A-5, X-2

5542. 60026-18-8 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene, 1,11-dimethyl-5-methylene-8-(1-methylethyl)-

X-2

5543. 69010-30-6 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene, 1,11-dimethyl-5-methylene-8-(1-methylethyl)-, [1R-(1R*,2E,6E,8S*,10Z,12S*)]-

H3C CH3

OCH3

H3C

1

2

3

4

5

6

78

9

10

11

CH2

X-2

5544. 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene, 1,5,11-trimethyl-8-(1-methylethyl)-

H3C CH3

CH3H3C

CH3

O

1

24

568

10

11

X-2

5545. 57688-98-9 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,2E,5S*,6E,8R*,10S*)]-

H3C CH3

OH

CH3

OCH3

H2C

1

2

3

4

5

6

78

9

10

11

II.A-5, X-2

5546. 57760-47-1 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R-(1R*,2E,5R*,6E,8S*,12S*)]- H2C

H3C CH3

CH3O

1

2

3

4

5

6

78

9

10

11

OH

CH3

II.A-5, X-2

208


CAS No.

S

T

S

T


Selected structures

Chapter

Table

5547. 60047-16-7 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-

H3C CH3

CH3

H2C

O

CH3

OH

II.A-5, X-2

5548. 102977-88-8 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 5-methyl-11-methylene-8-(1-methylethyl)-

5549. 72693-05-1 1 1 1 15-Oxabicyclo[10.2.1]pentadeca-2,6-diene, 1-methyl-5,11-bis(methylene)-8-(1-methylethyl)-

H3C CH3

CH3

CH2H2C

O

X-2

5550. 58947-96-9 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-6,10-dien-2-one, 8-hydroxy-8,12-dimethyl-5-(1-methylethyl)-

II.A-5, III-13, X-2

5551. 98064-75-6 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-6,10-dien-3-one, 5-hydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,5S*,6E,8S*,10E,

II.A-5, III-13, X-2

H3C CH3

OH

CH3

CH3O O

12

3 4

5

6

7

89

10

11

12 1314

H3C

5552. 66890-76-4 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol, 2,8,12-trimethyl-5-(1-methylethyl)-, [1S-(1R*,2S*,5R*,6E,8R*,10E,12S*)]-

H3C CH3

OH

CH3

O

OH

H3C

CH3

1

2

3

4

5

6 7

8

9

10

II.A-5, X-2

5553. 66966-04-9 0 1 0 15-Oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8-diol, 2,8,12-trimethyl-5-(1-methylethyl)-, [1S-(1R*,2R*,5R*,6E,8R*,10E,12S*)]-

H3C CH3

OH

CH3

O

OH

H3C

CH3

1

2

3

4

5

6 7

8

9

10

II.A-5, X-2

5554. 119613-99-9 0 1 0 15-Oxabicyclo[12.1.0]pentadec-9-en-5-one, 11,13-dihydroxy-1,11-dimethyl-8-(1-methylethyl)-, [1S-(1R*,8R*,9E,11R*,13S*,14S*)]-

II.A-5, III-13, X-2

5555. 98064-73-4 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-dien-6-one, 8-hydroxy-4,8,14-trimethyl-11-(1-methylethyl)-, [1S-(1R*,4E,8R*,9E,11R*)]

H3C CH3

CH3

OH

CH3

CH3 O

O1

2 43 5 6 7

8

9101112

13

14

II.A-5, III-13, X-2

5556. 152209-53-5 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 11-(1-hydroxy-1-methylethyl)-4,8,14-trimethyl-, [1S-(1R*,4E,6S*,8R*,9E,11S*,14R*)]-

II.A-5, X-2

5557. 70969-36-7 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 4,8,14-trimethyl-11-(1-methylethyl)-

II.A-5, X-2

5558. 75281-93-5 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 4,8,14-trimethyl-11-(1-methylethyl)-, [1S-(1R*,4E,6S*,8S*,9E,11R*,14R*)]-

II.A-5, X-2

5559. 75281-99-1 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 4,8,14-trimethyl-11-(1-methylethyl)-, [1S-(1R*,4E,6S*,8R*,9E,11R*,14R*)]-

II.A-5, X-2

209


CAS No.

S

T

S

T


Selected structures

Chapter

Table

5560. 75282-00-7 0 1 0 15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol, 4,8,14-trimethyl-11-(1-methylethyl)-, [1R-(1R*,4E,6R*,8S*,9E,11S*,14R*)]-

II.A-5, X-2

5561. 62498-80-0 0 1 0 15-Oxabicyclo[9.3.1]pentadeca-2,6-diene-5,12-diol, 1,5,11-trimethyl-8-(1-methylethyl)-, [1R-(1R*,2E,5S*,6E,8R*,11S*,12S*)]-

H3C CH3

OH

CH3

CH3

H3C

12

3

4

5

6

78

9

10

O

HO

11

12

II.A-5, X-2

5562. 123-69-3 1 0 0 Oxacycloheptadec-8-en-2-one, (Z)-{ambrettolide} (CH2)8

(CH2)6

O

O

VI-6

5563. 106-02-5 0 1 0 Oxacyclohexadecan-2-one

{ω-pentadecalactone; exaltolide}

O(CH2)6

(CH2)6 O

VI-6

5564. 68985-15-9 0 1 0 Oxacyclononadec-10-en-2-one, (E)- O

(CH2)8

(CH2)7 O

VI-6

5565. 60918-97-0 0 1 0 1,3,4-Oxadiazol-2-amine, N-(4-bromophenyl)-5-(1-naphthalenylmethyl)-

XII-2, XVII.D-2, XVIII.B-3

5566. 72962-43-7 0 1 0 β-homo-7-Oxaergostan-6-one, 2,3,22,23-

tetrahydroxy-, (2α,3α,5α,22R,23R,24S)-

II.A-5, III-13

5567. 80722-28-7 0 1 0 1-Oxaspiro[4.5]deca-2,6-dien-8-one, 2,6,10,10-tetramethyl-

O

2

34

67

8

910 CH3

CH3

CH3

H3C

O

III-13, X-2

5568. 57893-27-3 0 1 0 1-Oxaspiro[4.5]decane, 6-acetoxy-2,6,10,10-tetramethyl- {6-acetoxydihydrotheaspirane}

O

CH3

CH3

CH3H3C

OOC-CH3

V-3, X-2

5569. 65620-50-0 0 1 0 1-Oxaspiro[4.5]decane, 6-hydroxy-2,6,10,10-tetramethyl- {6-hydroxydihydrotheaspirane}

O

CH3

CH3

OH

CH3H3C

II.A-5, X-2

5570. 0 1 0 1-Oxaspiro[4,5]dec-7-ene, 2,10,10-trimethyl- {vitispirane}

O

CH3

CH3H3C

CH2

X-2

5571. 38713-26-7 0 1 0 1-Oxaspiro[4.5]dec-2-en-8-one, 2,6,6,10-tetramethyl-

O

CH3

CH3H3C

CH3O

III-13, X-2

5572. 19377-59-4 0 1 0 1-Oxaspiro[4.5]dec-6-en-8-one, 2,6,10,10-tetramethyl-

O

CH3

CH3H3C

CH3O

III-13, X-2

210


CAS No.

S

T

S

T


Selected structures

Chapter

Table

5573. 5259-88-1 0 1 0 1,4-Oxathiin-3-carboxamide 4,4-dioxide, 5,6-dihydro-2-methyl-N-phenyl-

{Oxycarboxin®} NH

O

S

O O

O

XXI-3

5574. 1139-30-6 0 1 0 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]-

{β-caryophyllene oxide}

CH3

CH3

CH3

H2C

9

4

1

2

36

7

8

11

O5

10

12

X-2

5575. 15769-88-7 1 1 1 2H-1,2-Oxazine, tetrahydro-2-methyl-6-(3-pyridinyl)-, (-)-

XVII.B-2

5576. 71607-95-9 1 0 0 2H-1,2-Oxazine, tetrahydro-3-(1-methylethyl)-6-(3-pyridinyl)-

XVII.B-2

5577. 7208-05-1 1 0 0 Oxazole, 2,4-dimethyl- XVII.D-2

5578. 1 0 0 Oxazole, 2,4-dimethyl-5-butyl- XVII.D-2

5579. 1 0 0 Oxazole, 2,4-dimethyl-5-ethyl- XVII.D-2

5580. 1 0 0 Oxazole, 2,4-dimethyl-5-(2-methylpropyl)- XVII.D-2

5581. 1 0 0 Oxazole, 2,4-dimethyl-5-propyl- XVII.D-2

5582. 23012-11-5 1 0 0 Oxazole, 2,5-dimethyl- XVII.D-2



5585. 20654-94-8

20662-83-3

1 0 0 Oxazole, 4,5-dimethyl- XVII.D-2

5586. 1 0 0 Oxazole, 4,5-dimethyl-2-butyl- XVII.D-2




5590. 1 0 0 Oxazole, 2-ethyl-4-methyl- XVII.D-2

5591. 1 0 0 Oxazole, 2-ethyl-5-methyl- XVII.D-2

5592. 23012-10-4 1 0 0 Oxazole, 2-methyl-

O N1 3

5 4

CH3

XVII.D-2

5593. 1 0 0 Oxazole, 2-(2-methylpropyl)- XVII.D-2

5594. 1 0 0 Oxazole, 2-(3-methylbutyl)- XVII.D-2

5595. 1 0 0 Oxazole, 2-methyl-4-butyl- XVII.D-2

5596. 1 0 0 Oxazole, 2-methyl-5-ethyl- XVII.D-2

5597. 1 0 0 Oxazole, 2-methyl-4-(2-methylpropyl)- XVII.D-2

5598. 1 0 0 Oxazole, 4-(2-methylpropyl)- XVII.D-2

5599. 1 0 0 Oxazole, 4-methyl-2-butyl- XVII.D-2



5602. 1 0 0 Oxazole, 4-methyl-2-propyl- XVII.D-2

211


CAS No.

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T

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T


Selected structures

Chapter

Table

5603. 1 0 0 Oxazole, 4-methyl-5-propyl- XVII.D-2

5604. 1 0 0 Oxazole, 4-pentyl- XVII.D-2

5605. 1 0 0 Oxazole, 5-methyl-4-ethyl- XVII.D-2

5606. 20662-84-4 0 1 0 Oxazole, trimethyl- = 2,4,5-Trimethyloxazole XVII.D-2

5607. 2346-26-1 1 0 0 2,4-Oxazolidinedione XIV-1, XVII.D-2

5608. 50471-44-8 0 1 0 2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl- {Vinclozolin®}

N

Cl

Cl

O

O

O

XIV-1, XVIII.B-3,

XXI-3

5609. 1 0 0 2,4-Oxazolidinedione, 5-ethyl-1-methyl- XIV-1, XVII.D-2

5610. 27770-23-6 1 0 0 2,4-Oxazolidinedione, 5-methyl- XIV-1, XVII.D-2

5611. 9035-73-8 0 1 0 Oxidase XXII-2

5612. 9029-44-1 0 1 0 Oxidase, ascorbate XXII-2

5613. 0 1 0 Oxidase, choline XXII-2

5614. 9076-84-0 0 1 0 Oxidase, coproporphyrinogen XXII-2

5615. 9001-16-5 0 1 0 Oxidase, cytochrome XXII-2

5616. 9001-53-0 0 1 0 Oxidase, diamine XXII-2

5617. 9028-71-1 0 1 0 Oxidase, glycolate XXII-2

5618. 9027-85-4 0 1 0 Oxidase, indoleacetate XXII-2

5619. 55326-39-1 0 1 0 Oxidase, isopentenyladenosine XXII-2

5620. 37259-79-3 0 1 0 Oxidase, methylputrescine XXII-2

5621. 9001-96-1 0 1 0 Oxidase, pyruvate XXII-2

5622. 9032-21-7 0 1 0 Oxidase, reduced nicotinamide adenine dinucleotide

XXII-2

5623. 9032-22-8 0 1 0 Oxidase, reduced nicotinamide adenine dinucleotide phosphate

XXII-2

5624. 9014-35-1 0 1 0 Oxidase, succinate XXII-2

5625. 69671-26-7 0 1 0 Oxidase, ubiquinol XXII-2

5626. 9002-12-4 0 1 0 Oxidase, urate XXII-2

5627. 9002-17-9 0 1 0 Oxidase, xanthine XXII-2

5628. 75-21-8 1 0 0 Oxirane {ethylene oxide} X-2

5629. 106-89-8 0 1 0 Oxirane, (chloromethyl)- X-2, XVIII.B-3

5630. 7200-26-2 1 0 0 Oxirane, 2,2-dimethyl-3-(3,7,12,16,20-pentamethyl-3,7,11,15,19-heneicosapentaenyl)-, (all-E)-

X-2

5631. 75-56-9 1 0 0 Oxirane, methyl- {propylene oxide} X-2

5632. 96-09-3 0 1 0 Oxirane, phenyl- {phenylethylene oxide} X-2

5633. 77288-97-2 0 1 0 Oxiranebutanol, 3-(1-hydroxy-1-methylethyl)-α-

methyl-δ-(1-methylethyl)-, [2α(αS*,δR*),3α]-

II.A-5, X-2

5634. 77288-94-9 0 1 0 Oxiranebutanol, 3-(1-hydroxyethyl)-α-methyl-δ-(1-methylethyl)-

II.A-5, X-2

5635. 0 1 0 Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester {ethyl methylphenylglycidate}

V-3, X-2

5636. 61892-62-4 0 1 0 2,3-Oxiranedimethanol, monopropanoate II.A-5, V-3, X-2

212


CAS No.

S

T

S

T


Selected structures

Chapter

Table

5637. 556-52-5 1 0 0 Oxiranemethanol {glycidol} O

CH2OH

II.A-5, X-2

5638. 0 1 0 Oxiranemethanol, acetate {glycidyl acetate} O

CH2OOC-CH3

V-3, X-2

5639. 51297-34-8 0 1 0 Oxiranemethanol, 3-(1-ethyl-2-methylpropyl)-α,α-dimethyl-

II.A-5, X-2

5640. 7782-44-7 1 1 1 Oxygen O2 XIX-5, XX-5

5641. 7782-44-7 1 1 1 Oxygen (diradical) XXVII-1

5642. 9029-57-6 0 1 0 Oxygenase, 2,5-dihydroxypyridine 5,6-di- XXII-2

5643. 152060-37-2 0 1 0 Oxygenase, benzoate 2-mono- XXII-2

5644. 9077-75-2 0 1 0 Oxygenase, cinnamate 4-mono- XXII-2

5645. 9068-40-0 0 1 0 Oxygenase, p-coumarate 3-mono- XXII-2

5646. 9002-10-2 0 1 0 Oxygenase, monophenol mono- XXII-2

5647. 9028-06-2 0 1 0 Oxygenase, protocollagen proline di- XXII-2

5648. 39335-11-0 0 1 0 Oxygenase, ribulose diphosphate XXII-2

5649. 7440-05-3 1 1 1 Palladium Pd XX-5

5650. 142193-29-1 0 1 0 Parasiticein XXII-2

5651. 142193-19-9 0 1 0 Parasiticein (Phytophthora parasitica reduced) XXII-2

5652. 9046-40-6 0 1 0 Pectic acid IV.A-3, VIII-3

5653. 0 1 0 Pectic acid, labeled with 14

C {pectic acid-14

C} XXV-29

5654. 65028-58-2 0 1 0 Pectic acid, magnesium salt XX-6

5655. 9000-69-5 0 1 0 Pectin VIII-3

5656. 0 1 0 Pectin, labeled with 14

C {pectin-14

C} XXV-29

5657. 0 1 0 Pectinic acid IV.A-3, VIII-3

5658. 135-48-8 1 0 0 Pentacene {benzo[b]naphthacene}

I.E-6

5659. 629-99-2 1 1 1 Pentacosane H3C-(CH2)23-CH3 I.A-10

5660. 629-87-8 1 0 0 Pentacosane, 2-methyl- H3C-(CH2)22-CH=(CH3)2 I.A-10

5661. 506-38-7 1 1 1 Pentacosane, 3-methyl- I.A-10

5662. 506-38-7 1 1 1 Pentacosanoic acid H3C-(CH2)23-COOH IV.A-3

5663. 121877-88-1 1 1 1 Pentacosanoic acid, docosyl ester H3C-(CH2)23-COO-(CH2)21-CH3 V-3

5664. 1 1 1 Pentacosanoic acid, dodecyl ester H3C-(CH2)23-COO-(CH2)11-CH3 V-3

5665. 121877-80-3 1 1 1 Pentacosanoic acid, eicosyl ester H3C-(CH2)23-COO-(CH2)19-CH3 V-3

5666. 1 1 1 Pentacosanoic acid, heneicosyl ester H3C-(CH2)23-COO-(CH2)20-CH3 V-3

5667. 1 1 1 Pentacosanoic acid, heptacosyl ester H3C-(CH2)23-COO-(CH2)26-CH3 V-3

5668. 1 1 1 Pentacosanoic acid, heptadecyl ester H3C-(CH2)23-COO-(CH2)16-CH3 V-3

5669. 1 1 1 Pentacosanoic acid, hexacosyl ester H3C-(CH2)23-COO-(CH2)25-CH3 V-3

5670. 1 1 1 Pentacosanoic acid, hexadecyl ester H3C-(CH2)23-COO-(CH2)15-CH3 V-3

5671. 1 1 1 Pentacosanoic acid, nonadecyl ester H3C-(CH2)23-COO-(CH2)18-CH3 V-3

5672. 1 1 1 Pentacosanoic acid, octadecyl ester H3C-(CH2)23-COO-(CH2)17-CH3 V-3

5673. 10482-74-3 1 1 1 Pentacosanoic acid, pentacosyl ester H3C-(CH2)23-COO-(CH2)24-CH3 V-3

213


CAS No.

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T

S

T


Selected structures

Chapter

Table

5674. 1 1 1 Pentacosanoic acid, pentadecyl ester H3C-(CH2)23-COO-(CH2)14-CH3 V-3

5675. 1 1 1 Pentacosanoic acid, tetracosyl ester H3C-(CH2)23-COO-(CH2)23-CH3 V-3

5676. 1 1 1 Pentacosanoic acid, tetradecyl ester H3C-(CH2)23-COO-(CH2)13-CH3 V-3

5677. 1 1 1 Pentacosanoic acid, tricosyl ester H3C-(CH2)23-COO-(CH2)32-CH3 V-3

5678. 1 1 1 Pentacosanoic acid, tridecyl ester H3C-(CH2)23-COO-(CH2)12-CH3 V-3

5679. 0 1 0 Pentacosanoic acid, 23-methyl- H3C-CH2-CH(CH3)-(CH2)21-COOH IV.A-3

5680. 121877-85-8 1 1 1 Pentacosanoic acid, 23-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)21-COO-(CH2)20-CH3

V-3

5681. 129074-11-9 1 0 0 Pentacosanol II.A-5

5682. 26040-98-2 0 1 0 1-Pentacosanol H3C-(CH2)23-CH2OH II.A-5

5683. 63785-24-0 0 1 0 1-Pentacosanol, 24-methyl- (H3C)2=CH-(CH2)22-CH2OH II.A-5

5684. 30551-31-6 1 0 0 Pentacosene I.B-1

5685. 16980-85-1 1 0 0 1-Pentacosene H3C-(CH2)22-CH=CH2 I.B-1

5686. 1 0 0 1-Pentacosene, 2-methyl- H2C=CH-(CH2)22-CH3 I.B-1

5687. 1 0 0 2-Pentacosene, (Z)- H3C-CH=CH-(CH2)21-CH3 I.B-1

5688. 1 0 0 2-Pentacosene, (E)- I.B-1

5689. 1 0 0 2-Pentacosene, 2-methyl- H3C-C(CH3)=CH-(CH2)21-CH3 I.B-1

5690. 1 0 0 2-Pentacosene, 23-methyl-, (Z)- H3C-CH=CH-(CH2)19-CH(CH3)-CH2-CH3

I.B-1

5691. 1 0 0 2-Pentacosene, 23-methyl-, (E)- I.B-1

5692. 1 0 0 2-Pentacosene, 24-methyl-, (Z)- H3C-CH=CH-(CH2)20-CH(CH3)2 I.B-1

5693. 1 0 0 2-Pentacosene, 24-methyl-, (E)- I.B-1

5694. 102673-27-8 0 1 0 4,9-Pentadecadienal, 6-(acetyloxy)-8-hydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-, [6R-(4E,6R*,8R*,9E,11S*)]-

II.A-5, V-3, III-12

5695. 95360-16-0 0 1 0 4,9-Pentadecadienal, 6,8-dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-, [6R-(4E,6R*,8S*,9E,11S*)]-

II.A-5, III-12

5696. 1 0 0 Pentadecadiene, 2,6,10,14-tetramethyl- I.B-1

5697. 70898-33-8 1 0 0 4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-

II.A-5, IV.A-3, III-13

H3C CH3

CH3

OH

OH

H3C

O

HOOCCH3

5698. 102734-50-9 0 1 0 4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-, methyl ester, [6R-(4E,6R*,8S*,9E,11S*)]-

II.A-5, V-3, III-13

5699. 102734-51-0 0 1 0 4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8-dimethyl-11-(1-methylethyl)-14-oxo-, methyl ester, [6R-(4E,6R*,8R*,9E,11S*)]-

II.A-5, V-3, III-13

5700. 152209-55-7 0 1 0 6,11-Pentadecadien-2-one, 8,10,15-trihydroxy-8,12-dimethyl-5-(1-methylethyl)-, [5S-(5R*,6E,8R*,10S*,11E)]-

II.A-5, III-13

5701. 2765-11-9 0 1 0 Pentadecanal H3C-(CH2)13-CH=O III-12

5702. 68982-28-5 0 1 0 Pentadecanal, 2-ethylidene-6,10,14-trimethyl- H- III-12

214


CAS No.

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T

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Selected structures

Chapter

Table

5703. 629-62-9 1 1 1 Pentadecane H3C-(CH2)13-CH3 I.A-10

5704. 0 1 0 Pentadecane, 4-acetoxy- V-3

5705. 1560-93-6 1 1 1 Pentadecane, 2-methyl- H3C-(CH2)12-CH=(CH3)2 I.A-10

5706. 2882-96-4 1 1 1 Pentadecane, 3-methyl- H3C-(CH2)11-CH(CH3)-CH2-CH3 I.A-10

5707. 1921-70-6 1 0 0 Pentadecane, 2,6,10,14-tetramethyl- I.A-10

5708. 3892-00-0 1 0 0 Pentadecane, 2,6,10-trimethyl- I.A-10

5709. 1460-18-0 1 0 0 Pentadecanedioic acid HOOC-(CH2)13-COOH IV.A-3

5710. 1002-84-2 1 1 1 Pentadecanoic acid H3C-(CH2)13-COOH IV.A-3

5711. 42232-23-5 1 1 1 Pentadecanoic acid, docosyl ester H3C-(CH2)13-COO-(CH2)21-CH3 V-3

5712. 42232-14-4 1 1 1 Pentadecanoic acid, dodecyl ester H3C-(CH2)13-COO-(CH2)11-CH3 V-3

5713. 36617-37-5 1 1 1 Pentadecanoic acid, eicosyl ester H3C-(CH2)13-COO-(CH2)19-CH3 V-3

5714. 41114-00-5 0 1 0 Pentadecanoic acid, ethyl ester H3C-(CH2)13-COO-CH2-CH3 V-3

5715. 42232-22-4 1 1 1 Pentadecanoic acid, heneicosyl ester H3C-(CH2)13-COO-(CH2)20-CH3 V-3

5716. 1 1 1 Pentadecanoic acid, heptacosyl ester H3C-(CH2)13-COO-(CH2)26-CH3 V-3

5717. 36617-34-2 1 1 1 Pentadecanoic acid, heptadecyl ester H3C-(CH2)13-COO-(CH2)16-CH3 V-3

5718. 1 1 1 Pentadecanoic acid, hexacosyl ester H3C-(CH2)13-COO-(CH2)25-CH3 V-3

5719. 36617-33-1 1 1 1 Pentadecanoic acid, hexadecyl ester H3C-(CH2)13-COO-(CH2)15-CH3 V-3

5720. 7132-64-1 1 1 1 Pentadecanoic acid, methyl ester H3C-(CH2)13-COO-CH3 V-3

5721. 36617-36-4 1 1 1 Pentadecanoic acid, nonadecyl ester H3C-(CH2)13-COO-(CH2)18-CH3 V-3

5722. 36617-35-3 1 1 1 Pentadecanoic acid, octadecyl ester H3C-(CH2)13-COO-(CH2)17-CH3 V-3

5723. 1 1 1 Pentadecanoic acid, pentacosyl ester H3C-(CH2)13-COO-(CH2)24-CH3 V-3

5724. 36617-32-0 1 1 1 Pentadecanoic acid, pentadecyl ester H3C-(CH2)13-COO-(CH2)14-CH3 V-3

5725. 121877-44-9 1 1 1 Pentadecanoic acid, tetracosyl ester H3C-(CH2)13-COO-(CH2)23-CH3 V-3

5726. 36617-31-9 1 1 1 Pentadecanoic acid, tetradecyl ester H3C-(CH2)13-COO-(CH2)13-CH3 V-3

5727. 42232-24-6 1 1 1 Pentadecanoic acid, tricosyl ester H3C-(CH2)13-COO-(CH2)22-CH3 V-3

5728. 36617-30-8 1 1 1 Pentadecanoic acid, tridecyl ester H3C-(CH2)13-COO-(CH2)12-CH3 V-3

5729. 1 1 1 Pentadecanoic acid, 13-methyl- H3C-CH2-CH(CH3)-(CH2)11-COOH V-3

5730. 121877-18-7 1 1 1 Pentadecanoic acid, 13-methyl-, heptadecyl ester H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)16-CH3

V-3

5731. 121877-55-2 1 1 1 Pentadecanoic acid, 13-methyl-, pentacosyl ester H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)24-CH3

V-3

5732. 121877-43-8 1 1 1 Pentadecanoic acid, 13-methyl-, tricosyl ester H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)32-CH3

V-3

5733. 4669-02-7 1 1 1 Pentadecanoic acid, 14-methyl- (H3C)2=CH-(CH2)12-COOH IV.A-3

5734. 121877-31-4 1 1 1 Pentadecanoic acid, 14-methyl-, docosyl ester (H3C)2=CH-(CH2)12-COO-(CH2)21-CH3 V-3

5735. 121877-27-8 1 1 1 Pentadecanoic acid, 14-methyl-, eicosyl ester (H3C)2=CH-(CH2)12-COO-(CH2)19-CH3 V-3

5736. 121877-13-2 1 1 1 Pentadecanoic acid, 14-methyl-, heptadecyl ester (H3C)2=CH-(CH2)12-COO-(CH2)16-CH3 V-3

5737. 121877-20-1 1 1 1 Pentadecanoic acid, 14-methyl-, octadecyl ester (H3C)2=CH-(CH2)12-COO-(CH2)17-CH3 V-3

5738. 121877-47-2 1 1 1 Pentadecanoic acid, 14-methyl-, tetracosyl ester (H3C)2=CH-(CH2)12-COO-(CH2)23-CH3 V-3

5739. 121877-38-1 1 1 1 Pentadecanoic acid, 14-methyl-, tricosyl ester (H3C)2=CH-(CH2)12-COO-(CH2)22-CH3 V-3

5740. 0 1 0 Pentadecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34- hexatriacontanonaenyl ester

V-3

215


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T

S

T


Selected structures

Chapter

Table

5741. 71607-96-0 1 0 0 Pentadecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

5742. 629-76-5 1 1 1 1-Pentadecanol H3C-(CH2)13-CH2OH II.A-5

5743. 20194-48-3 0 1 0 1-Pentadecanol, 14-methyl- (H3C)2=CH-(CH2)12-CH2OH II.A-5

5744. 2345-28-0 0 1 0 2-Pentadecanone H3C-(CH2)12-CO-CH3 III-13

5745. 502-69-2 1 1 1 2-Pentadecanone, 6,10,14-trimethyl-

{phytone; hexahydrofarnesyl acetone}

H-[CH2-CH(CH3)-CH2-CH2]3-CH2-CO-CH3

III-13

5746. 16825-16-4 0 1 0 2-Pentadecanone, 6,10,14-trimethyl-, [R-(R*,R*)]- III-13

5747. 81345-07-5 1 0 0 3,8,12,14-Pentadecatetraen-2-one, 8,12-dimethyl-5-(1-methylethyl)-, (E,E,E)-

H3C CH3

H3C

CH3

CH3

O

CH2

III-13

5748. 81345-08-6 1 0 0 3,8,12,14-Pentadecatetraen-2-one, 8,12-dimethyl-5-(1-methylethyl)-, (E,Z,E)-

H3C CH3

H3C CH3

OCH3

CH2

III-13

5749. 41429-55-4 0 1 0 3,7,12-Pentadecatriene-2,14-dione, 4,8-dimethyl-11-(1-methylethyl)-, (E,Z,E)-

OO

23

45

6

7

89

1011

13

12

14

III-13

5750. 57760-50-6 0 1 0 3,7,12-Pentadecatriene-2,14-dione, 4,8-dimethyl-11-(1-methylethyl)-, [S-(E,E,E)]-

III-13

5751. 762-29-8 1 1 1 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl- {farnesyl acetone} {3 isomers}

O

CH3

CH3

CH3

CH3H3C

III-13

5752. 1117-52-8 1 1 1 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-

III-13

5753. 27251-68-9 1 1 1 Pentadecene H-(CH2)n-CH=CH-(CH2)(13-n)-H I.B-1

5754. 13360-61-7 1 1 1 1-Pentadecene H3C-(CH2)12-CH=CH2 I.B-1

5755. 1 1 1 1-Pentadecene, 2-methyl- H2C=C(CH3)-(CH2)11-CH3 I.B-1

5756. 1 1 1 2-Pentadecene, (Z)- H3C-CH=CH-(CH2)11-CH3 I.B-1

5757. 1 1 1 2-Pentadecene, (E)- I.B-1

5758. 1 1 1 2-Pentadecene, 2-methyl- H2C=C(CH3)-(CH2)12-CH3 I.B-1

5759. 1 1 1 2-Pentadecene, 13-methyl-, (Z)- H3C-CH=CH-(CH2)9-CH(CH3)-CH2-CH3

I.B-1

5760. 1 1 1 2-Pentadecene, 13-methyl-, (E)- I.B-1

5761. 1 1 1 2-Pentadecene, 14-methyl-, (Z)- H3C-CH=CH-(CH2)10-CH(CH3)2 I.B-1

5762. 1 1 1 2-Pentadecene, 14-methyl-, (E)- I.B-1

216


CAS No.

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T

S

T


Selected structures

Chapter

Table

5763. 2140-82-1

60976-73-0

1 1 1 1-Pentadecene, 2,6,10,14-tetramethyl-

{norphytene}

H2C=C(CH3)-CH2-{(CH2)2-CH(CH3)-CH2}3-H

I.B-1

5764. 36232-37-8 1 0 0 6-Pentadecene, 2,6,10,14-tetramethyl- (H3C)2CH-(CH2)3-C(CH3)=CH2-{(CH2)2-CH(CH3)-CH2}2-H I.B-1

5765. 26444-04-2 1 1 1 Pentadecenoic acid IV.A-3

5766. 31422-28-3 0 1 0 Pentadecenoic acid, methyl ester V-3

5767. 17351-34-7 0 1 0 14-Pentadecenoic acid IV.A-3

5768. 764-40-9 1 1 1 2,4-Pentadienal H2C=CH-CH=CH-CH=O III-12

5769. 41050-31-1 1 1 1 Pentadiene I.B-1

5770. 1 1 1 Pentadiene, methyl- I.B-1

5771. 591-95-7 1 1 1 1,2-Pentadiene {ethylallene} H3C-CH2-CH=C=CH2 I.B-1

5772. 504-60-9 1 1 1 1,3-Pentadiene {piperylene} H3C-CH=CH-CH=CH2 I.B-1

5773. 2004-70-8 1 1 1 1,3-Pentadiene, (E)- I.B-1

5774. 1574-41-0 1 1 1 1,3-Pentadiene, (Z)- I.B-1

5775. 1118-58-7 1 1 1 1,3-Pentadiene, 2-methyl- H3C-CH=CH-C(CH3)=CH2 I.B-1

5776. 926-56-7 0 1 0 1,3-Pentadiene, 4-methyl- H3C-C(CH3)=CH-CH=CH2 I.B-1

5777. 591-93-5 1 0 0 1,4-Pentadiene H2C=CH-CH2-CH=CH2 I.B-1

5778. 21293-29-8

14375-45-2

0 1 0 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, [S-(Z,E)]-

{abscisic acid}


H3C CH3

CH3

COOH

OH

CH3O

5779. 4949-20-6 1 0 0 2,4-Pentadien-1-ol H2C=CH-CH=CH-CH2OH II.A-5

5780. 110-62-3 1 1 1 Pentanal {valeraldehyde} H3C-(CH2)3-CH=O III-12

5781. 1 0 0 Pentanal, methyl- III-12

5782. 123-15-9 1 0 0 Pentanal, 2-methyl- H3C-(CH2)2-CH(CH3)-CH=O III-12

5783. 15877-57-3 1 0 0 Pentanal, 3-methyl- III-12

5784. 1119-16-0 1 0 0 Pentanal, 4-methyl- H3C-CH(CH3)-(CH2)2-CH=O III-12

5785. 7332-93-6 1 0 0 Pentanal, 2-oxo- H3C-(CH2)2-CO-CH=O III-12, III-13

5786. 626-96-0 1 0 0 Pentanal, 4-oxo- H3C-CO-(CH2)2-CH=O III-12, III-13

5787. 626-97-1 1 0 0 Pentanamide {valeramide} H3C-(CH2)3-CO-NH2 XIII-1

5788. 61892-69-1 1 0 0 Pentanamide, 3-methyl- XIII-1

5789. 1119-29-5 1 0 0 Pentanamide, 4-methyl- XIII-1

5790. 54007-33-9 1 0 0 Pentanamide, N-ethyl- H3C-(CH2)3-CO-NH-C2H5 XIII-1

5791. 110-58-7 1 1 1 1-Pentanamine H3C-(CH2)4-NH2 XII-2

5792. 688-31-3 1 0 0 1-Pentanamine, 2-ethyl-N,N-dimethyl- H3C-(CH2)2-CH(C2H5)-CH2-N(CH3)2 XII-2

5793. 625-30-9 1 1 1 2-Pentanamine H3C-(CH2)2-CH(NH2)-CH3 XII-2

5794. 616-24-0 1 0 0 3-Pentanamine (H3C-CH2)2=CH-NH2 XII-2

5795. 109-66-0 1 1 1 Pentane H3C-(CH2)3-CH3 I.A-10

5796. 1067-20-5 1 0 0 Pentane, 3,3-diethyl- I.A-10

5797. 108-08-7 1 0 0 Pentane, 2,4-dimethyl- I.A-10

5798. 43133-95-5 1 0 0 Pentane, methyl- I.A-10

5799. 107-83-5 1 1 1 Pentane, 2-methyl- H3C-(CH2)2-CH=(CH3)2 I.A-10

217


CAS No.

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T


Selected structures

Chapter

Table

5800. 96-14-0 1 1 1 Pentane, 3-methyl- (H3C-CH2)2=CH-CH3 I.A-10

5801. 760-21-4 1 0 0 Pentane, 3-methylene- {2-ethyl-1-butene} (H3C-CH2)2=C=CH2 I.B-1

5802. 628-05-7 1 0 0 Pentane, 1-nitro- H3C-(CH2)3-CH2-NO2 XVI-1

5803. 4609-89-6 1 0 0 Pentane, 2-nitro- H3C-(CH2)2-CH(NO2)-CH3 XVI-1

5804. 0 1 0 1,5-Pentanediamide, 2-amino- {glutamine amide} H2N-OC-(CH2)2-CH(NH2)-CO-NH2

XII-2, XIII-1

5805. 462-94-2 0 1 0 1,5-Pentanediamine {cadaverine} H2N-(CH2)5-NH2 XII-2

5806. 110-94-1 1 1 1 Pentanedioic acid {glutaric acid} HOOC-(CH2)3-COOH IV.A-3

5807. 63892-02-4 0 1 0 Pentanedioic acid, 2-(1-methylethyl)-, (S)- HOOC-(CH2)2-CH[CH(CH3)2]-COOH

IV.A-3

5808. 617-62-9 0 1 0 Pentanedioic acid, 2-methyl- HOOC-(CH2)2-CH(CH3)-COOH IV.A-3

5809. 328-50-7 1 1 1 Pentanedioic acid, 2-oxo- {α-ketoglutaric acid} HOOC-(CH2)2-CO-COOH III-13, IV.A-3

5810. 626-51-7 1 0 0 Pentanedioic acid, 3-methyl- HOOC-CH2-CH(CH3)-CH2-COOH IV.A-3

5811. 0 1 0 Pentanedioic acid, 2,3,4-trihydroxy- HOOC-(CHOH)3-COOH II.A-5, IV.A-3

5812. 3174-67-2 1 0 0 1,3-Pentanediol II.A-5

5813. 1 0 0 1,4-Pentanediol, 3-[2-(2-hydroxyethyl)-1,3,3-trimethylcyclohexyl]-

II.A-5

5814. 107-41-5 1 1 1 2,4-Pentanediol, 2-methyl- II.A-5

5815. 52786-29-5 1 0 0 1,4-Pentanedione, 1-(2-furanyl)- III-13

5816. 600-14-6 1 1 1 2,3-Pentanedione H3C-CH2-CO-CO-CH3 III-13

5817. 7493-58-5 1 0 0 2,3-Pentanedione, 4-methyl- H3C-CH(CH3)-CO-CO-CH3 III-13

5818. 123-54-6 0 1 0 2,4-Pentanedione H3C-CO-CH2-CO-CH3 III-13

5819. 110-59-8 1 0 0 Pentanenitrile {valeronitrile} H3C-(CH2)3-CN XI-2

5820. 69975-94-6 1 0 0 Pentanenitrile, 2,4-dimethyl- H3C- CH(CH3)-CH2-CH(CH3)-CN XI-2

5821. 1 0 0 Pentanenitrile, 2-hydroxy- XI-2

5822. 1 0 0 Pentanenitrile, 3-hydroxy-4-methyl- XI-2

5823. 1 0 0 Pentanenitrile, methyl- XI-2

5824. 6339-13-5 1 0 0 Pentanenitrile, 2-methyl- H3C-(CH2)2-CH(CH3)-CN XI-2

5825. 1 0 0 Pentanenitrile, 3-methyl- XI-2

5826. 542-54-1 1 0 0 Pentanenitrile, 4-methyl- (H3C)2=CH(CH2)2-CN XI-2

5827. 927-56-0 1 0 0 Pentanenitrile, 4-oxo- H3C-CO-(CH2)2-CN III-1, XI-2

5828. 110-66-7 1 0 0 1-Pentanethiol H3C-(CH2)4-SH XVIII.A-1

5829. 1 0 0 1,2,5-Pentanetriol, 3-methyl- II.A-5

5830. 109-52-4 1 1 1 Pentanoic acid {valeric acid} H3C-(CH2)3-COOH IV.A-3

5831. 591-68-4 0 1 0 Pentanoic acid, butyl ester V-3

5832. 539-82-2 1 1 1 Pentanoic acid, ethyl ester {ethyl valerate} H3C-(CH2)3-COO-C2H5 V-3

5833. 96937-52-9 1 0 0 Pentanoic acid, hydroxy-methyl- II.A-5, IV.A-3

5834. 27936-41-0 0 1 0 Pentanoic acid, methyl- IV.A-3

5835. 624-24-8 0 1 0 Pentanoic acid, methyl ester {methyl valerate} H3C-(CH2)3-COO-CH3 V-3

5836. 96937-54-1 1 0 0 Pentanoic acid, methyloxo- III-13, IV.A-3

5837. 96937-53-0 1 0 0 Pentanoic acid, oxo- III-13, IV.A-3

5838. 10361-39-4 0 1 0 Pentanoic acid, phenylmethyl ester V-3

218


CAS No.

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T

S

T


Selected structures

Chapter

Table

5839. 1185-39-3 0 1 0 Pentanoic acid, 2,2-dimethyl- IV.A-3

5840. 20225-24-5 0 1 0 Pentanoic acid, 2-ethyl- IV.A-3

5841. 617-31-2 0 1 0 Pentanoic acid, 2-hydroxy- II.A-5, IV.A-3

5842. 488-15-3 0 1 0 Pentanoic acid, 2-hydroxy-3-methyl- II.A-5, IV.A-3


5844. 54031-97-9 0 1 0 Pentanoic acid, 2-hydroxy-4-oxo- II.A-5, IV.A-3

5845. 97-61-0 1 1 1 Pentanoic acid, 2-methyl- {2-methylvaleric acid} IV.A-3

5846. 6641-83-4 1 0 0 Pentanoic acid, 2-methyl-4-oxo- III-13, IV.A-3

5847. 70340-00-0 0 1 0 Pentanoic acid, 2-methylphenyl ester V-3

5848. 6376-59-6 1 0 0 Pentanoic acid, 2-oxo-, methyl ester V-3

5849. 1 1 1 Pentanoic acid, 2,5-di-(methylnitrosoamino)- R-(CH2)3-CH(R)-COOH where R =

H3C-N(NO)- IV.A-3, XII-2, XV-8



5852. 105-43-1 1 1 1 Pentanoic acid, 3-methyl-

{β-methylvaleric acid; 3-methylpentanoic acid}

IV.A-3

5853. 5870-68-8 1 1 1 Pentanoic acid, 3-methyl-, ethyl ester V-3

5854. 2177-78-8 1 0 0 Pentanoic acid, 3-methyl-, methyl ester V-3

5855. 6628-79-1 1 0 0 Pentanoic acid, 3-methyl-4-oxo- III-13, IV.A-3

5856. 10191-25-0 0 1 0 Pentanoic acid, 3-oxo- III-13, IV.A-3

5857. 150-97-0 0 1 0 Pentanoic acid, 3,5-dihydroxy-5-methyl- {mevalonic acid}

II.A-5, IV.A-3


5859. 646-07-1 1 1 1 Pentanoic acid, 4-methyl- {isocaproic acid} IV.A-3

5860. 2412-80-8 1 0 0 Pentanoic acid, 4-methyl-, methyl ester V-3

5861. 123-76-2 1 1 1 Pentanoic acid, 4-oxo- {levulinic acid} H3C-CO-(CH2) 2-COOH III-13, IV.A-3

5862. 539-88-8 1 1 1 Pentanoic acid, 4-oxo-, ethyl ester

{ethyl levulinate}

H3C-CO-(CH2) 2-COO-CH2-CH3 III-13, V-3

5863. 624-45-3 1 1 1 Pentanoic acid, 4-oxo-, methyl ester

{methyl levulinate}

H3C-CO-(CH2) 2-COO-CH3 III-13, V-3

5864. 67920-51-8 0 1 0 Pentanoic acid, 5-(acetylamino)-2-hydroxy-, (±)- II.A-5, IV.A-3, XII-2

5865. 63316-30-3 0 1 0 Pentanoic acid, 5-(acetylamino)-2-hydroxy-, (R)- II.A-5, IV.A-3, XII-2

5866. 16814-81-6 0 1 0 Pentanoic acid, 5-amino-2-hydroxy-, (S)- II.A-5, IV.A-3, XII-2

5867. 63316-28-9 0 1 0 Pentanoic acid, 5-amino-3-hydroxy- II.A-5, IV.A-3, XII-2

5868. 106-60-5 0 1 0 Pentanoic acid, 5-amino-4-oxo- H2N-CH2-CO-(CH2)2-COOH

III-13, IV.A-3, XII-2

5869. 0 1 0 Pentanoic acid, 5-hydroxy-3-(1-methylethyl)- II.A-5, IV.A-3

5870. 66274-27-9 1 0 0 Pentanoic acid, 5-hydroxy-4-oxo-, methyl ester II.A-5, III-13, V-3

5871. 1 0 0 Pentanoic acid, 2,3,4,5-tetrahydroxy- HOCH2-(CHOH)3-COOH II.A-5, IV.A-3

5872. 71-41-0 1 1 1 1-Pentanol {amyl alcohol} H3C-(CH2)3-CH2OH II.A-5

5873. 6570-87-2 0 1 0 1-Pentanol, 3,4-dimethyl- II.A-5

5874. 0 1 0 1-Pentanol, 2-methyl- II.A-5

5875. 589-35-5 0 1 0 1-Pentanol, 3-methyl- II.A-5

219


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Chapter

Table




5879. 584-02-1 0 1 0 3-Pentanol (H3C-CH2)2=CHOH II.A-5


5881. 1 0 0 3-Pentanol, 1-phenyl- II.A-5

5882. 27154-67-2 1 0 0 Pentanone III-13

5883. 63072-44-6 0 1 0 Pentanone, methyl- III-13

5884. 1009-14-9 1 0 0 1-Pentanone, 1-phenyl- H3C-(CH2)3-CO-C6H5 III-13

5885. 107-87-9 1 1 1 2-Pentanone H3C-(CH2)2-CO-CH3 III-13

5886. 1 0 0 2-Pentanone, 1-hydroxy- H3C-(CH2)2-CO-CH2OH II.A-5, III-13

5887. 4161-60-8 1 1 1 2-Pentanone, 4-hydroxy- H3C-CHOH-CH2-CO-CH3 II.A-5, III-13

5888. 123-42-2 1 1 1 2-Pentanone, 4-hydroxy-4-methyl- {diacetone alcohol}

(H3C)2=C(OH)-CH2-CO-CH3 II.A-5, III-13

5889. 565-61-7 1 0 0 2-Pentanone, 3-methyl- H3C-CH2-CH(CH3)-CO-CH3 III-13

5890. 108-10-1 1 1 1 2-Pentanone, 4-methyl- (H3C)2=CH-CH2-CO-CH3 III-13

5891. 5349-62-2 0 1 0 2-Pentanone, 4-methyl-1-phenyl- III-13

5892. 5185-97-7 0 1 0 2-Pentanone, 5-(acetyloxy)- H3C-COO-(CH2)3-CO-CH3 III-13, V-3

5893. 1567-93-7 1 0 0 2-Pentanone, 5-hydroxy-3-methyl- HOCH2-CH2-CH(CH3)-CO-CH3

II.A-5, III-13

5894. 66309-84-0 1 0 0 2-Pentanone, 5-hydroxy-4-methyl- HOCH2-CH(CH3)-CH2-CO-CH3

II.A-5, III-13

5895. 96-22-0 1 1 1 3-Pentanone H3C-CH2-CO-CH2-CH3 III-13

5896. 565-80-0 1 0 0 3-Pentanone, 2,4-dimethyl- (H3C)2=CH-CO-CH=(CH3)2 III-13

5897. 1 0 0 3-Pentanone, 1-(methylthio)- III-13, XVIII.A-1

5898. 565-69-5 1 1 1 3-Pentanone, 2-methyl- (H3C)2=CH-CO-CH2-CH3 III-13

5899. 222-93-5 1 0 0 Pentaphene

{dibenzo[b,j]phenanthrene; 2,3,6,7-dibenzophenanethrene}

I.E-6

5900. 488-31-3 0 1 0 Pentaric acid IV.A-3

5901. 320-77-4 0 1 0 Pentaric acid, 3-carboxy-2,3-dideoxy- IV.A-3

5902. 630-07-9 1 1 1 Pentatriacontane H3C-(CH2)33-CH3 I.A-10

5903. 0 1 0 Pentatriacontane, 2-methyl- H3C-CH(CH3)-(CH2)32-CH3 I.A-10

5904. 78692-70-3 0 1 0 Pentatriacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)31-CH3 I.A-10

5905. 21978-49-4 1 1 1 5,9,13,17,21,25,29,33-Pentatriacontaoctaen-2-one, 6,10,14,18,22,26,30,34-octamethyl-, (all-E)-

III-13

5906. 34786-54-4 0 1 0 1,5,9,13,17,21,25,29,33-Pentatriacontanonaene, 2,6,10,14,18,22, 26,30,34-nonamethyl-

{norsolanesene}

I.B-1

5907. 31424-04-1 1 0 0 Pentenal III-12

5908. 764-39-6 0 1 0 2-Pentenal H3C-CH2-CH=CH-CH=O III-12

5909. 1 0 0 2-Pentenal, 2,3-dimethyl- III-12

220


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Selected structures

Chapter

Table

5910. 1 0 0 2-Pentenal, 2,4-dimethyl- III-12

5911. 623-36-9 1 0 0 2-Pentenal, 2-methyl- III-12

5912. 1 1 1 2-Pentenal, 4-methyl- III-12

5913. 5604-55-7 0 1 0 3-Pentenal III-12

5914. 1 0 0 4-Pentenal, 2-methyl- III-12

5915. 3973-43-1 1 0 0 4-Pentenal, 4-methyl- III-12

5916. 15856-96-9 1 0 0 2-Pentenamide H3C-CH2-CH=CH-CO-NH2 XIII-1

5917. 61892-67-9 1 0 0 2-Pentenamide, N-methyl- XIII-1

5918. 70265-05-3 1 0 0 3-Pentenamide, 4-methyl- XIII-1

5919. 22537-07-1 1 0 0 4-Penten-1-amine H2C=CH-(CH2)3-NH2 XII-2

5920. 1 0 0 Pentene I.B-1

5921. 1 0 0 Pentene, methyl- I.B-1

5922. 109-67-1 1 0 0 1-Pentene H3C-(CH2)2-CH=CH2 I.B-1

5923. 3404-73-7 1 0 0 1-Pentene, 3,3-dimethyl- H3C-CH2-C(CH3)2-CH=CH2 I.B-1

5924. 763-29-1 1 0 0 1-Pentene, 2-methyl- H3C-(CH2)2-C(CH3)=CH2 I.B-1

5925. 760-20-3 1 0 0 1-Pentene, 3-methyl- H3C-CH2-CH(CH3)-CH=CH2 I.B-1

5926. 691-37-2 1 0 0 1-Pentene, 4-methyl- (H3C)2=CH-CH2-CH=CH2 I.B-1

5927. 109-68-2 1 1 1 2-Pentene H3C-CH2-CH=CH-CH3 I.B-1

5928. 646-04-8 1 0 0 2-Pentene, (E)- I.B-1

5929. 627-20-3 1 0 0 2-Pentene, (Z)- I.B-1

5930. 625-27-4 1 0 0 2-Pentene, 2-methyl- H3C-CH2-CH=C=(CH3)2 I.B-1

5931. 922-61-2 1 0 0 2-Pentene, 3-methyl- (Z) H3C-CH2-C(CH3)=CH-CH3 I.B-1

5932. 616-12-6 1 0 0 2-Pentene, 3-methyl-, (E)- I.B-1

5933. 4461-48-7 1 0 0 2-Pentene, 4-methyl- H3C-CH(CH3)-CH=CH-CH3 I.B-1

5934. 674-76-0 1 0 0 2-Pentene, 4-methyl-, (E)- I.B-1

5935. 691-38-3 1 0 0 2-Pentene, 4-methyl-, (Z)- I.B-1

5936. 1724-02-3 0 1 0 2-Pentenedioic acid {glutaconic acid} HOOC-CH2-CH=CH-COOH IV.A-3

5937. 5164-76-1 0 1 0 2-Pentenedioic acid, dimethyl ester V-3

5938. 101758-45-6 0 1 0 2-Pentene-1,4-diol, 5-(decahydro-2-hydroxy-2,5,5,8a-tetramethyl-1- naphthalenyl)-3-methyl-,

[1α(3E,4S*),2β,4a

II.A-5

5939. 91238-45-8 1 0 0 4-Pentene-2,3-dione III-13

5940. 592-51-8 1 0 0 4-Pentenenitrile XI-2

5941. 27516-53-6 1 0 0 Pentenoic acid IV.A-3

5942. 626-98-2 1 1 1 2-Pentenoic acid H3C-CH2-CH=CH-COOH IV.A-3

5943. 3142-72-1 1 1 1 2-Pentenoic acid, 2-methyl- H3C-CH2-CH=C(CH3)-COOH IV.A-3

5944. 3675-21-6 0 1 0 2-Pentenoic acid, 3-methyl- H3C-CH2-C(CH3)=CH-COOH IV.A-3

5945. 0 1 0 2-Pentenoic acid, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-

IV.A-3

5946. 10321-71-8 0 1 0 2-Pentenoic acid, 4-methyl- H3C-CH(CH3)-CH=CH-COOH IV.A-3

5947. 1617-32-9 1 0 0 3-Pentenoic acid, (E)- IV.A-3

5948. 33698-87-2 1 0 0 3-Pentenoic acid, (Z)- IV.A-3

221


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Selected structures

Chapter

Table

5949. 16313-37-4 0 1 0 3-Pentenoic acid, 3-methyl- IV.A-3

5950. 41653-93-4 0 1 0 3-Pentenoic acid, 3-methyl-, (E)- IV.A-3

5951. 504-85-8 0 1 0 3-Pentenoic acid, 4-methyl- IV.A-3

5952. 591-80-0 1 1 1 4-Pentenoic acid H2C=CH-(CH2)2-COOH IV.A-3

5953. 16386-93-9 0 1 0 4-Pentenoic acid, 2,2-dimethyl- IV.A-3

5954. 1575-74-2 0 1 0 4-Pentenoic acid, 2-methyl- II.A-5

5955. 616-25-1 1 1 1 1-Penten-3-ol II.A-5

5956. 2088-07-5 1 1 1 1-Penten-3-ol, 2-methyl- II.A-5

5957. 0 1 0 2-Penten-1-ol, (Z) H3C-CH2-CH=CH-CH2OH II.A-5

5958. 87563-33-5 0 1 0 2-Penten-1-ol, 3-methyl-5-(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)-,

[1S-[1α(E),4aβ,8aα]]-

II.A-5

5959. 87585-55-5 0 1 0 2-Penten-1-ol, 3-methyl-5-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)-,

[4aS-[1(E),4aα,8aβ]]-

II.A-5

5960. 0 1 0 3-Penten-1-ol, 4-methyl- II.A-5

5961. 4325-82-0 1 0 0 3-Penten-2-ol, 4-methyl- II.A-5

5962. 60026-13-3 0 1 0 4-Penten-2-ol, 5-(tetrahydro-2-methyl-2-furanyl)- II.A-5, X-2

5963. 1629-58-9 1 1 1 1-Penten-3-one H3C-CH2-CO-CH=CH2 III-13

5964. 3712-68-8 0 1 0 1-Penten-3-one, 2,4-dimethyl- III-13

5965. 0 1 0 1-Penten-3-one, 1-(4-methoxyphenyl)- III-13, X-2

5966. 25044-01-3 1 0 0 1-Penten-3-one, 2-methyl- H3C-CH2-CO-C(CH3)=CH2 III-13

5967. 1 0 0 2-Penten-4-one, 2,3-dimethyl- (H3C)2=C=C(CH3)-CO-CH3 III-13

5968. 625-33-2 1 1 1 3-Penten-2-one H3C-CH=CH-CO-CH3 III-13

5969. 3102-33-8 0 1 0 3-Penten-2-one, (E) III-13

5970. 1118-66-7 1 0 0 3-Penten-2-one, 4-amino- H3C-C(NH2)=CH-CO-CH3 III-13, XII-2

5971. 565-62-8 1 0 0 3-Penten-2-one, 3-methyl- H3C-CH=C(CH3)-CO-CH3 III-13

5972. 141-79-7 1 1 1 3-Penten-2-one, 4-methyl- {mesityl oxide} (H3C)2=C=CH-CO-CH3 III-13

5973. 13891-87-7 1 0 0 4-Penten-2-one H2C=CH-CH2-CO-CH3 III-13

5974. 127-42-4 0 1 0 4-Penten-3-one, 5-(2,6,6-trimethyl-2-cyclohexen-1-

yl)- {methyl-α-ionone}

III-13

5975. 72692-98-9 1 0 0 Pentitol, 2,3-dideoxy-3-methyl- II.A-5

5976. 61989-60-4 1 0 0 Pentonic acid, 2,3-anhydro-, γ-lactone VI-3

5977. 491-14-5 1 0 0 Pentonic acid, 5-C-[3,5-bis(1-methylpropyl)-1-cyclopenten-1-yl]-4-deoxy-

II.A-5, VI-3

5978. 9473-19-9 1 1 1 D-erythro-Pentonic acid, 3-deoxy-, γ-lactone VI-3

5979. 5803-57-6 1 0 0 Pentonic acid, 5-deoxy-, γ-lactone VI-3

5980. 533-67-5 0 1 0 D-erythro-Pentose, 2-deoxy- {deoxyribose}

O

OH

HO

OH

II.A-5

5981. 1 0 0 Pentoxyl radical OC5CH11 XXVII-1

5982. 488-84-6 0 1 0 D-erythro-2-Pentulose = D-Ribulose {xylulose} HOCH2-CO-(CHOH)2-CH2OH II.A-5

5983. 24218-00-6 0 1 0 D-erythro-2-Pentulose, 1,5-bis(dihydrogen phosphate)

II.A-5

222


CAS No.

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Selected structures

Chapter

Table

5984. 627-21-4 1 0 0 2-Pentyne H3C-C≡C-CH2-CH3

5985. 9031-96-3 0 1 0 Peptidase XXII-2

5986. 9003-99-0 0 1 0 Peroxidase XXII-2

5987. 72906-87-7 0 1 0 Peroxidase, ascorbate XXII-2

5988. 0 1 0 Peroxidase, glutathione XXII-2

5989. 198-55-0 1 0 0 Perylene

I.E-6

5990. 1 0 0 Perylene, alkyl- I.E-6

5991. 64760-19-6 1 0 0 Perylene, dimethyl- I.E-6

5992. 64031-91-0 1 0 0 Perylene, methyl- {at least 2 isomers in MSS} I.E-6

5993. 24471-47-4 1 0 0 Perylene, 3-methyl- I.E-6

5994. 518-85-4 1 0 0 1H-Phenalen-1-one, 2,3-dihydro- 1

23

O

III-13

5995. 4176-53-8 1 0 0 1-Phenanthrenamine NH2

1

2

3456

7

8

9 10

XII-2

5996. 3366-65-2 1 0 0 2-Phenanthrenamine XII-2




6000. 85-01-8 1 0 0 Phenanthrene

I.E-6

6001. 1 0 0 Phenanthrene, alkyl- I.E-6

6002. 20851-90-5 1 0 0 Phenanthrene, 3,6-dichloro- XVIII.B-3

6003. 1 0 0 Phenanthrene, dihydro- I.E-6

6004. 776-35-2 1 0 0 Phenanthrene, 9,10-dihydro- I.E-6

6005. 71607-56-2 1 0 0 Phenanthrene, dihydrobis(methylene)- I.E-6

6006. 29062-98-4 1 0 0 Phenanthrene, dimethyl- I.E-6

6007. 20291-72-9 1 0 0 Phenanthrene, 1,2-dimethyl- I.E-6









223


CAS No.

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S

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Selected structures

Chapter

Table


6017. 1 0 0 Phenanthrene, dimethylene- I.E-6

6018. 71607-65-3 1 0 0 Phenanthrene, dimethylethyl- I.E-6

6019. 30997-38-7 1 0 0 Phenanthrene, ethyl- I.E-6

6020. 71607-66-4 1 0 0 Phenanthrene, ethylmethyl- I.E-6

6021. 71607-67-5 1 0 0 Phenanthrene, hexamethyl- I.E-6

6022. 61128-87-8 1 0 0 Phenanthrene, methoxy- X-2

6023. 31711-53-2 1 1 1 Phenanthrene, methyl- I.E-6

6024. 832-69-9 1 0 0 Phenanthrene, 1-methyl- I.E-6





6029. 1 0 0 Phenanthrene, 1-methyl-5-(1-methylethyl)- I.E-6

6030. 71607-68-6 1 0 0 Phenanthrene, pentamethyl- I.E-6

6031. 71607-69-7 1 0 0 Phenanthrene, propyl- I.E-6

6032. 71607-70-0 1 0 0 Phenanthrene, tetramethyl- {at least 5 isomers in MSS}

I.E-6

6033. 30232-26-9 1 0 0 Phenanthrene, trimethyl- {at least 3 isomers in MSS}

I.E-6

6034. 84-11-7 1 0 0 9,10-Phenanthrenedione

{phenanthrenequinone; phenanthraquinone}

O

O

IX.B-2

6035. 111924-41-5 0 1 0 1,2,8-Phenanthrenetriol, tetradecahydro-8,10a-dimethyl-4-methylene-5-(1-methylethyl)- 1

2

34

56

7

8

910

OH

OH

CH2

H3C

H3C

HO

CH3

H3C

II.A-5

6036. 229-87-8 1 1 1 Phenanthridine

N

XVII.E-6

6037. 108-95-2 1 1 1 Phenol OH

2

35

6

4

IX.A-22

6038. 1 0 0 Phenol, C2-alkyl- IX.A-22




6042. 1 0 0 Phenol, C2-alkyl-ethenyl- {2 isomers} IX.A-22

6043. 1 0 0 Phenol, C4-alkyl-ethenyl- IX.A-22

6044. 1 0 0 Phenol, C5-alkyl-ethenyl- IX.A-22

224


CAS No.

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Selected structures

Chapter

Table

6045. 1 0 0 Phenol, alkyl-dimethoxy- IX.A-22, X-2

6046. 1 0 0 Phenol, diethyl- IX.A-22

6047. 1 0 0 Phenol, dimethoxy- IX.A-22, X-2

6048. 1 0 0 Phenol, dimethoxy-4-ethenyl- IX.A-22, X-2

6049. 1300-71-6 1 1 1 Phenol, dimethyl- {xylenol} IX.A-22

6050. 1 0 0 Phenol, dimethyl-ethenyl- IX.A-22

6051. 1 0 0 Phenol, dimethyl-4-ethenyl- IX.A-22

6052. 50984-45-7 1 0 0 Phenol, dimethyl-ethenyl-ethyl- IX.A-22

6053. 1 0 0 Phenol, dimethyl-ethenyl-2-methoxy- IX.A-22, X-2

6054. 27178-34-3 1 0 0 Phenol, (1,1-dimethylethyl)- IX.A-22

6055. 1329-97-1 1 0 0 Phenol, dimethyl-methoxy- IX.A-22, X-2

6056. 1 0 0 Phenol, dimethyl-2-methoxy- IX.A-22, X-2

6057. 1 0 0 Phenol, dimethyl-4-methoxy- IX.A-22, X-2

6058. 1 0 0 Phenol, dimethyl-2-nitro- IX.A-22, XVI-1

6059. 31257-96-2 1 0 0 Phenol, ethenyl- IX.A-22

6060. 50851-69-9 1 0 0 Phenol, ethenyl-ethyl- IX.A-22

6061. 1 0 0 Phenol, ethenyl-ethyl-methyl- IX.A-22

6062. 1 0 0 Phenol, ethenyl-2-methoxy-trimethyl- IX.A-22

6063. 73850-05-2 1 0 0 Phenol, ethenyl-methyl- IX.A-22

6064. 73850-13-2 1 0 0 Phenol, ethenyl-trimethyl- IX.A-22

6065. 25429-37-2 1 0 0 Phenol, ethyl- IX.A-22

6066. 80652-16-0 1 0 0 Phenol, ethyl-methoxy- IX.A-22, X-2

6067. 1 0 0 Phenol, ethyl-2-methoxy- IX.A-22, X-2

6068. 30230-52-5 1 0 0 Phenol, ethyl-methyl- IX.A-22

6069. 1 0 0 Phenol, ethyl-methyl-nitro- IX.A-22, XVI-1

6070. 1 0 0 Phenol, ethyl-nitro- IX.A-22, XVI-1

6071. 26638-03-9 1 0 0 Phenol, methoxy- IX.A-22, X-2

6072. 32391-38-1 1 0 0 Phenol, methoxy-methyl- IX.A-22, X-2

6073. 1319-77-3 1 1 1 Phenol, methyl- {cresol} IX.A-22

6074. 12167-20-3 1 0 0 Phenol, methyl-nitro- IX.A-22, XVI-1

6075. 1 0 0 Phenol, methylpropylenyl- IX.A-22

6076. 1 0 0 Phenol, methyl-propyl- IX.A-22

6077. 1 0 0 Phenol, propenyl- IX.A-22

6078. 1 0 0 Phenol, propyl- IX.A-22

6079. 66586-93-4 1 0 0 Phenol, tetramethyl- IX.A-22

6080. 26998-80-1 1 0 0 Phenol, trimethyl- IX.A-22

6081. 3180-09-4 1 0 0 Phenol, 2-butyl- IX.A-22

6082. 95-57-8 1 0 0 Phenol, 2-chloro- IX.A-22, XVIII.B-3

6083. 3743-22-4 1 0 0 Phenol, 2-(dimethylamino)- IX.A-22, XII-2

6084. 88-18-6 1 0 0 Phenol, 2-(1,1-dimethylethyl)- IX.A-22

6085. 695-84-1 1 0 0 Phenol, 2-ethenyl- IX.A-22

225


CAS No.

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Selected structures

Chapter

Table

6086. 120550-69-8 1 0 0 Phenol, 2-ethenyl-6-methoxy- IX.A-22, X-2

6087. 135295-09-9 1 0 0 Phenol, 2-ethenyl-6-methyl- IX.A-22

6088. 94-86-0 0 1 0 Phenol, 2-ethoxy-5-propenyl-

{5-propenylguaethol}

IX.A-22, X-2

6089. 90-00-6 1 0 0 Phenol, 2-ethyl- IX.A-22

6090. 1 0 0 Phenol, 2-ethyl-4-methoxy- IX.A-22, X-2

6091. 90534-46-6 1 0 0 Phenol, 2-ethyl-6-methoxy- IX.A-22, X-2

6092. 6161-62-2 1 0 0 Phenol, 2-ethyl-3-methyl- IX.A-22




6096. 71607-97-1 1 0 0 Phenol, 2-ethyl-3-nitro- IX.A-22, XVI-1

6097. 1 0 0 Phenol, 2-ethyl-4-nitro- IX.A-22, XVI-1

6098. 90-05-1 1 1 1 Phenol, 2-methoxy- {guaiacol} IX.A-22, X-2

6099. 60825-46-9 1 0 0 Phenol-14

C6, 2-methoxy-, labeled with 14

C IX.A-22, X-2

6100. 1 0 0 Phenol, 2-methoxy-methyl- IX.A-22, X-2

6101. 18102-31-3 1 0 0 Phenol, 2-methoxy-3-methyl- IX.A-22, X-2

6102. 53587-16-9 1 0 0 Phenol, 2-methoxy-4-(1-methylethyl)- IX.A-22, X-2

6103. 97-54-1 1 1 1 Phenol, 2-methoxy-4-(1-propenyl)- {isoeugenol} IX.A-22, X-2

6104. 5932-68-3 1 1 1 Phenol, 2-methoxy-4-(1-propenyl)-, (E)- {trans-isoeugenol}

IX.A-22, X-2

6105. 5912-86-7 1 1 1 Phenol, 2-methoxy-4-(1-propenyl)-, (Z)- {cis-isoeugenol}

IX.A-22, X-2

6106. 97-53-0 1 1 1 Phenol, 2-methoxy-4-(2-propenyl)- {eugenol} IX.A-22, X-2

6107. 93-15-2 1 0 0 Phenol, 2-methoxy-methyl-4-(2-propenyl)- {eugenol, methyl-}

IX.A-22, X-2

6108. 2896-66-4 1 0 0 Phenol, 2-methoxy-4,6-dimethyl- IX.A-22, X-2

6109. 93-51-6 1 1 1 Phenol, 2-methoxy-4-methyl- {4-methylguaiacol} IX.A-22, X-2

6110. 2785-87-7 1 1 1 Phenol, 2-methoxy-4-propyl- IX.A-22, X-2

6111. 19784-98-6 1 0 0 Phenol, 2-methoxy-5-(1-propenyl)-, (E)- IX.A-22, X-2


6113. 58539-27-8 1 0 0 Phenol, 2-methoxy-5-propyl- IX.A-22, X-2

6114. 29275-83-0 1 0 0 Phenol, 2-methoxy-6-(1-propenyl)-, (E)- IX.A-22, X-2

6115. 29275-82-9 1 0 0 Phenol, 2-methoxy-6-(1-propenyl)-, (Z)- IX.A-22, X-2


6117. 32073-24-8 1 0 0 Phenol, 2-methoxy-propyl- IX.A-22, X-2

6118. 1 0 0 Phenol, 2-methoxy-trimethyl- IX.A-22, X-2

6119. 95-48-7 1 1 1 Phenol, 2-methyl- {o-cresol} IX.A-22

6120. 70-30-4 1 0 0 Phenol, 2,2'-methylenebis[3,4,6-trichloro- IX.A-22, XVIII.B-3

6121. 114-26-1 0 1 0 Phenol, 2-(1-methylethoxy)-, methylcarbamate {Undene®; Propoxur®}

OOC-NH-CH3

O-CH(CH3)2

V-3, X-2, XXI-3

6122. 88-69-7 1 1 1 Phenol, 2-(1-methylethyl)- {2-isopropylphenol} IX.A-22

226


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6123. 1740-97-2 1 0 0 Phenol, 2-methyl-4-(1-methylethyl)- IX.A-22

6124. 499-75-2 1 1 1 Phenol, 2-methyl-5-(1-methylethyl)- {carvacrol} IX.A-22

6125. 1 0 0 Phenol, 2-methyl-(2-methylpropyl)- IX.A-22

6126. 99-53-6 1 0 0 Phenol, 2-methyl-4-nitro- IX.A-22, XVI-1

6127. 3520-52-3 1 0 0 Phenol, 2-methyl-6-propyl- IX.A-22

6128. 89-72-5 1 0 0 Phenol, 2-(1-methylpropyl)- IX.A-22

6129. 1 0 0 Phenol, 2-(1-propenyl)- IX.A-22

6130. 1745-81-9 1 0 0 Phenol, 2-(2-propenyl)- IX.A-22


6132. 88-75-5 1 0 0 Phenol, 2-nitro- IX.A-22, XVI-1

6133. 1 0 0 Phenol, 2-phenoxy- IX.A-22, X-2

6134. 1745-81-9 1 0 0 Phenol, 2-propenyl- IX.A-22

6135. 644-35-9 1 0 0 Phenol, 2-propyl- IX.A-22

6136. 591-27-5 1 0 0 Phenol, 3-amino- IX.A-22, X-2

6137. 108-43-0 1 0 0 Phenol, 3-chloro- IX.A-22, XVIII.B-3


6139. 88-32-4 1 0 0 Phenol, 3-(1,1-dimethyethyl)-4-methoxy- IX.A-22, X-2

6140. 618-45-1 1 0 0 Phenol, 3-(1-methylethyl)- IX.A-22



6143. 1 0 0 Phenol, 3-ethenyl-methyl- IX.A-22


6145. 621-34-1 1 0 0 Phenol, 3-ethoxy- IX.A-22, X-2

6146. 620-17-7 1 1 1 Phenol, 3-ethyl- IX.A-22




6150. 150-19-6 1 1 1 Phenol, 3-methoxy- IX.A-22, X-2

6151. 5451-83-2 1 0 0 Phenol, 3-methoxy-, acetate V-3, X-2

6152. 108-39-4 1 0 0 Phenol, 3-methyl- {m-cresol} IX.A-22




6156. 713-68-8 1 0 0 Phenol, 3-phenoxy- IX.A-22, X-2



6159. 99-89-8 1 1 1 Phenol, 4-(1-methylethyl)- IX.A-22


6161. 51-67-2 1 1 1 Phenol, 4-(2-aminoethyl)- {tyramine} IX.A-22, X-2


6163. 0 1 0 Phenol, 4-(3-hydroxy-1-propenyl)- {coumaryl alcohol}

II.A-5, IX.A-22

227


CAS No.

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T

S

T


Selected structures

Chapter

Table

6164. 537-33-7 0 1 0 Phenol, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxy- {sinapyl alcohol}

IX.A-22, X-2

6165. 458-35-5 1 1 1 Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy- {coniferyl alcohol}

IX.A-22, X-2

6166. 32811-40-8 0 1 0 Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-, (E)- IX.A-22, X-2

6167. 69056-21-9 0 1 0 Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-, (Z)- IX.A-22, X-2

6168. 101-53-1 1 0 0 Phenol, 4-(phenylmethyl)- IX.A-22

6169. 59832-96-1 1 0 0 Phenol, 4-butyl-2-methoxy- IX.A-22, X-2


6171. 1 0 0 Phenol, 4-ethenyl-2-ethyl- IX.A-22

6172. 7786-61-0 1 1 1 Phenol, 4-ethenyl-2-methoxy- {4-vinylguaiacol} IX.A-22, X-2


6174. 123-07-9 1 1 1 Phenol, 4-ethyl- {p-ethylphenol} IX.A-22

6175. 2785-89-9 1 1 1 Phenol, 4-ethyl-2-methoxy- {ethyguaiacol} IX.A-22, X-2

6176. 120550-71-2 1 0 0 Phenol, 4-ethyl-2-methoxy-5-methyl- IX.A-22, X-2

6177. 120550-70-1 1 0 0 Phenol, 4-ethyl-2-methoxy-6-methyl- IX.A-22, X-2



6180. 71607-98-2 1 0 0 Phenol, 4-ethyl-3-nitro- IX.A-22, XVI-1

6181. 150-76-5 1 1 1 Phenol, 4-methoxy- IX.A-22, X-2

6182. 106-44-5 1 1 1 Phenol, 4-methyl- {p-cresol} IX.A-22

6183. 4427-56-9 1 0 0 Phenol, 4-methyl-2-(1-methylethyl)- IX.A-22



6186. 4074-46-8 1 0 0 Phenol, 4-methyl-2-propyl- IX.A-22


6188. 1 0 0 Phenol, 4-phenoxy- IX.A-22, X-2

6189. 1988-89-2 0 1 0 Phenol, 4-(1phenylethyl)- IX.A-22

6190. 1 0 0 Phenol, 4-phenylmethyl- IX.A-22

6191. 6380-21-8 1 0 0 Phenol, 4-propenyl- IX.A-22


6193. 2785-88-8 1 0 0 Phenol, 5-ethyl-2-methoxy- IX.A-22, X-2

6194. 71278-12-1 1 0 0 Phenol, 5-ethyl-2-methyl-4-nitro-

{phenol, 3-ethyl-6-methyl-4-nitro-}

IX.A-22, XVI-1

6195. 89-83-8 1 0 0 Phenol, 5-methyl-2-(1-methylethyl)- {thymol} IX.A-22

6196. 5150-42-5 1 0 0 Phenol, 2,3-dimethoxy- IX.A-22, X-2

6197. 20578-97-6 1 1 1 Phenol, 2,3-dimethoxy-4-ethyl- IX.A-22, X-2

6198. 526-75-0 1 1 1 Phenol, 2,3-dimethyl- {2,3-xylenol} IX.A-22

6199. 18441-55-9 1 0 0 Phenol, 2,3-dimethyl-6-ethyl- IX.A-22

6200. 34883-01-7 1 1 1 Phenol, 2,3-dimethyl-5-methoxy- IX.A-22, X-2

6201. 6665-95-8 1 0 0 Phenol, 2,3-dimethyl-6-nitro-

{phenol, 5,6-dimethyl-2-nitro-}

IX.A-22, XVI-1

228


CAS No.

S

T

S

T


Selected structures

Chapter

Table


6203. 1 0 0 Phenol, 2,4-dimethyl-6-ethyl- IX.A-22


6205. 1 0 0 Phenol, 2,5-dimethyl-6-nitro- IX.A-22, XVI-1

6206. 1006-59-3 1 0 0 Phenol, 2,6-diethyl- IX.A-22

6207. 4130-42-1 1 1 1 Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethyl- IX.A-22

6208. 128-37-0 1 1 1 Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl- {BHT} IX.A-22

6209. 91-10-1 1 1 1 Phenol, 2,6-dimethoxy- {syringol} IX.A-22, X-2

6210. 1 0 0 Phenol, 2,6-dimethoxy-ethenyl- IX.A-22, X-2

6211. 28343-22-8 1 1 1 Phenol, 2,6-dimethoxy-4-ethenyl- IX.A-22, X-2

6212. 14059-92-8 1 1 1 Phenol, 2,6-dimethoxy-4-ethyl- IX.A-22, X-2

6213. 6638-05-7 1 1 1 Phenol, 2,6-dimethoxy-4-methyl- IX.A-22, X-2

6214. 20675-95-0 1 1 1 Phenol, 2,6-dimethoxy-4-(1-propenyl)-, (E)- IX.A-22, X-2

6215. 26624-13-5 1 1 1 Phenol, 2,6-dimethoxy-4-(1-propenyl)-, (Z)- IX.A-22, X-2

6216. 6627-88-9 1 1 1 Phenol, 2,6-dimethoxy-4-(2-propenyl)- IX.A-22, X-2


6218. 71526-64-2 1 0 0 Phenol, 2,6-dimethyl-4-ethenyl- IX.A-22


6220. 0 1 0 Phenol, 2,6-dimethyl-4-(2-propenyl)- IX.A-22






6226. 71608-10-1 1 0 0 Phenol, 3,6-dimethyl-2-nitro-

{phenol, 2,5-dimethyl-6-nitro-}

IX.A-22, XVI-1

6227. 72312-07-3 0 1 0 Phenol, 4,5-dimethoxy-2-methyl- IX.A-22, X-2





6232. 3238-38-8 1 0 0 Phenol, 2,3,4,6-tetramethyl- IX.A-22

6233. 527-35-5 1 1 1 Phenol, 2,3,5,6-tetramethyl- {durenol} IX.A-22

6234. 526-85-2 1 1 1 Phenol, 2,3,4-trimethyl- IX.A-22

6235. 697-82-5 1 0 0 Phenol, 2,3,5-trimethyl- {isopseudocumenol} IX.A-22


6237. 496-78-6 1 0 0 Phenol, 2,4,5-trimethyl- {pseudocumenol} IX.A-22

6238. 118-79-6 0 1 0 Phenol, 2,4,6-tribromo- IX.A-22, XVIII.B-3, XXI-3

6239. 527-60-6 1 1 1 Phenol, 2,4,6-trimethyl- {mesitol} IX.A-22


6241. 732-26-3 1 1 1 Phenol, 2,4,6-tris(1,1-dimethylethyl)- IX.A-22

229


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6242. 63-91-2 1 1 1 L-Phenylalanine C6H5-CH2-CH(NH2)-COOH


6243. 31105-03-0 0 1 0 L-Phenylalanine, N-(1-deoxy-D-fructos-1-yl)- II.A-5, IV.A-3, IV.B-7, XII-2

6244. 51064-37-0 0 1 0 Phenylalanine, ar,ar-dihydroxy- IV.A-3, IV.B-7, XII-2, IX.A-22

6245. 21609-90-5 0 1 0 Phenylphosphonothioic acid, O-(4-bromo-2,5-dichlorophenyl)-, O-methyl ester {Phosvel®}

XVIII.A-1, XVIII.B-3, XXI-3

O

P

SH3CO Cl

Br

Cl

6246. 24861-47-0 0 1 0 Phorbine XVII.A-4

6247. 20239-99-0 0 1 0 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-

oxo-, [3S- (3α,4β,21β)]-

IV.A-3, XVII.A-4

6248. 3147-18-0 0 1 0 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester,

[3S-[3α(2E,7S*,11S*),4β,21β]]-

V-3, XVII.A-4

6249. 15664-29-6 0 1 0 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,

[3S-(3α,4β,21β)]-

IV.A-3, XVII.A-4

6250. 603-17-8 0 1 0 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [3S-

[3α(2E,7S*,11S*),4β,21β]]-

V-3, XVII.A-4

6251. 9013-05-2 0 1 0 Phosphatase XXII-2

6252. 122319-88-4 0 1 0 Phosphatase, 2-carboxyarabinitol 1- XXII-2

6253. 9001-77-8 0 1 0 Phosphatase, acid XXII-2

6254. 9000-83-3 0 1 0 Phosphatase, adenosine tri- XXII-2

6255. 134632-85-2 0 1 0 Phosphatase, adenosine tri- (Petunia hybrida strain 3704 mitochondria subunit 9)

XXII-2

6256. 9001-78-9 0 1 0 Phosphatase, alkaline XXII-2

6257. 9001-52-9 0 1 0 Phosphatase, fructose di- XXII-2

6258. 9001-39-2 0 1 0 Phosphatase, glucose 6- XXII-2

6259. 69669-68-7 0 1 0 Phosphatase, glucose di- XXII-2

6260. 9027-69-4 0 1 0 Phosphatase, nucleoside di- XXII-2

6261. 9075-51-8 0 1 0 Phosphatase, nucleoside tri- XXII-2

6262. 9055-30-5 0 1 0 Phosphatase, phosphoglycerate XXII-2

6263. 9025-76-7 0 1 0 Phosphatase, phosphoglycolate XXII-2

6264. 52227-92-6 0 1 0 Phosphatase, phosphorylcholine XXII-2

6265. 37341-58-5 0 1 0 Phosphatase, phytate XXII-2

6266. 9059-33-0 0 1 0 Phosphatase, sucrose XXII-2

6267. 14265-44-2 1 1 1 Phosphate PO4-3 XX-5

6268. 300-76-5 0 1 0 Phosphate, 1,2-dibromo-2,2-dichloroethyl dimethyl {Naled®}

XVIII.B-3, XXI-3

6269. 14066-20-7 0 1 0 Phosphate, dihydrogen H2PO4-1 XX-5

6270. 0 1 0 Phosphate, monohydrogen HPO4-2 XX-5

230


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6271. 20859-73-8 0 1 0 Phosphide, aluminum Al≡P XX-6, XXI-3

6272. 12057-74-8 0 1 0 Phosphide, magnesium Mg3P2 XX-6, XXI-3

6273. 7803-51-2 1 1 1 Phosphine PH3 XX-6, XXI-3

6274. 115-26-4 0 1 0 Phosphine oxide, bis(dimethylamino)fluoro- {Dimefox®}

XVIII.B-3, XXI-3

P O

N(CH3)2

N(CH3)2

F

6275. 9036-21-9 0 1 0 Phosphodiesterase, adenosine cyclic 3',5'-phosphate

XXII-2

6276. 39434-01-0 0 1 0 Phosphodiesterase, nucleotide XXII-2

6277. 12712-31-1 0 1 0 Phosphodoxin XXII-2

6278. 9001-81-4 0 1 0 Phosphomutase, glucose XXII-2

6279. 16672-87-0 0 1 0 Phosphonic acid, 2-chloroethyl- {Ethephon®; Ethrel®} Cl-(CH2)2-P

OH

OH

O

XVIII.B-3, XXI-3

6280. 52-68-6 0 1 0 Phosphonic acid, 2,2,2-trichloromethyl-1-hydroxyethyl-, dimethyl ester

{Trichlorphon®; Dylox®, Dipterex®}

P

H3CO

H3CO O

CHOH

CCl3


6281. 98886-44-3 0 1 0 Phosphonodithioic acid, O-ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)- {Fosthiazate®}

XVIII.A-1, XXI-3

6282. 944-22-9 0 1 0 Phosphonodithioic acid, ethyl-, O-ethyl S-phenyl ester {Fonofos®} P

OC2H5

S-C6H5

H5C2

S

XVIII.A-1, XXI-3

6283. 22224-92-6 0 1 0 Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester {Fenamiphos®; Nemacur®}

V-3, XVIII.A-1, XXI-3

6284. 30560-19-1 0 1 0 Phosphoramidothioic acid, N-acetyl-, O,S-dimethyl ester {Orthene®; Acephate®}


6285. 10265-92-6 0 1 0 Phosphoramidothioic acid O,S-dimethyl ester {Methamidophos®}


6286. 25311-71-1 0 1 0 Phosphoramidothioic acid, O-ethyl O-2-(1-methylethyl)carbonylphenyl-, (1-methylethyl) ester {Isofenphos®}

XXI-3

6287. 9030-26-6 0 1 0 Phosphoribosyltransferase, nicotinate XXII-2

6288. 7664-38-2 0 1 0 Phosphoric acid XX-6

6289. 7757-93-9 0 1 0 Phosphoric acid, calcium salt (1:1) XX-6

6290. 470-90-6 0 1 0 Phosphoric acid, 2-chloro-1-(2-dichlorophenyl)ethenyl-, diethyl ester {Chlorfenvivphos®; Birlane®}


P

H5C2O

H5C2O O

O

CHCl

Cl

Cl

231


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6291. 13171-21-6 0 1 0 Phosphoric acid, 2-chloro-3-(diethylamino-1-methyl-3-oxo-1-propenyl)-, dimethyl ester

{Phosphamidon®}


P

H3CO

H3CO O

O

CH3

C

Cl

O

NOC2H5

OC2H5

6292. 22248-79-9 0 1 0 Phosphoric acid, 2-chloro-1-(2,4,5-trichlrophenyl)ethenyl-, dimethyl ester {DDVP; Tetrachlorvinphos®}


P

O

O

H3CO

H3CO

CHCl

Cl Cl

Cl

6293. 7783-28-0 0 1 0 Phosphoric acid, diammonium salt XX-6

6294. 62-73-7 0 1 0 Phosphoric acid, 2,2,-dichloroethenyl-, dimethyl ester {DDVP; Dichlorvos®}


P

H3CO

H3CO O

O CH=CCl

Cl

6295. 141-66-2 0 1 0 Phosphoric acid, 3-(dimethylamino-1-methyl-3-oxo-1-propenyl)-, dimethyl ester {Dicrotophos®}

V-3, XXI-3

P

H3CO

H3CO O

O

CH3

CH C

O

N=(CH3)2

6296. 7757-86-0 0 1 0 Phosphoric acid, magnesium salt XX-6

6297. 7778-53-2 0 1 0 Phosphoric acid, tripotassium salt XX-6

6298. 1754-58-1 1 1 1 Phosphorodiamidic acid, N,N'-dimethyl-, phenyl ester {Diamidafos®}

V-3, XXI-3

C6H5-O-P

O

NH-CH3

NH-CH3

6299. 13194-48-4 0 1 0 Phosphorodithioic acid, O-ethyl-S,S, dipropyl ester

{Mocap®, Ethoprop®, Prophos®, Rovokil®,

Ethoprophos®}


P

S

S

(CH2)2-CH3

(CH2)2-CH3H3C-CH2-O

O

6300. 2497-06-5 0 1 0 Phosphorodithioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester

(Thiodemeton sulfone®)


6301. 298-04-4 1 1 1 Phosphorodithioic acid, O,O-diethyl S-[2-(ethylthio)ethyl] ester {Disulfoton®}


PH3CO

CH3O

S

S

S CH3

6302. 298-02-2 0 1 0 Phosphorodithioic acid, O,O-diethyl S-[2-(ethylthio)methyl] ester {Phorate®}


PH3CO

CH3O

S

SS CH3

6303. 301-12-2 0 1 0 Phosphorodithioic acid, O,O-dimethyl S-[2-(ethylsulfinyl)ethyl] ester

{Oxydemeton methyl®}

XXI-3

H3C-CH2-S

(CH2)2-S

P

O O OCH3

OCH3

232


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6304. 640-15-3 0 1 0 Phosphorodithioic acid, O,O-dimethyl S-[2-(ethylthio)ethyl] ester {Thiometon®}

XVIII.A-1, XXI-3

6305. 950-37-8 0 1 0 Phosphorodithioic acid, O,O-dimethyl-S-2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-ylmethyl ester

{Supracide®; Methidathion®}

V-3, XVIII.A-1, XXI-3 O

S

O

N

N

S

OCH3

OCH3

PS

H3C

6306. 2597-03-7 0 1 0 Phosphorodithioic acid, O,O-dimethyl- S-(α-ethoxycarbonylbenzyl) ester {Fenthoate®; Phenthoate®}


P

S

SH3CO

H3CO

CH

COOC2H5

6307. 60-51-5 0 1 0 Phosphorodithioic acid, O,O-dimethyl-S-[2-methylamino)-2-oxoethyl] ester {Dimethoate®}


PH3CO

CH3O

S

S

O

NH

CH3

6308. 2642-71-9 0 1 0 Phosphorodithioic acid, O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester {Azinphos Ethyl®}


6309. 86-50-0 1 1 1 Phosphorodithioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester

{Guthion®; Azinphos-Methyl®}


O

N

NN

CH2-S-P-OCH3

S

OCH3

6310. 298-04-4 0 1 0 Phosphorodithioic acid, O,O-diethyl S-(2-(ethylthio)ethyl) ester {Disulfoton®}


6311. 2310-17-0 0 1 0 Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester {Phosalone®}

V-3, XVIII.A-1, XVIII.B-3, XXI-3

O

N

Cl

O

P

S

S

H5C2O

H5C2O

6312. 2540-82-1 0 1 0 Phosphorodithioic acid, S-[2-formylmethylamino)-2-oxoethyl] O,O-dimethyl ester {Formothion®}


P

H3CO

H3CO S

S-CH2-CO-N-CH=O

CH3

6313. 41198-08-7 0 1 0 Phosphorothioic acid, O-(4-bromo-2-chlorophenyl)-O-ethyl-S-propyl ester {Profenophos®}

V-3, XVIII.A-1, XXVIII.B-3, XXI-3

6314. 14816-18-3 0 1 0 Phosphorothioic acid, O,O-diethyl O-(α-cyanobenzylideneamino)- {Phoxim®}

V-3, XI-2, XVIII.A-1, XXI-3 CN

N P

S

(O-C2H5)2

6315. 2921-88-2 1 1 1 Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester {Chlorpyriphos®; Dursban®}

V-3, XVII.B-2, XVIII.A-1, XXVIII.B-3, XXI-3

O

P

SH3CO

H3CO

Cl

Cl

Cl

N

6316. 13071-79-9 0 1 0 Phosphorodithioic acid, O,O-diethyl S-[(1,1-dimethylethyl)thio]methyl ester {Terbuphos®}


233


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6317. 115-90-2 0 1 0 Phosphorothioic acid, O,O-diethyl O-[4-(methylsulfinyl)phenyl] ester {Fensulfothion®}


6318. 56-38-2 0 1 0 Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester {Parathion®}

V-3, XVI-1, XVIII.A-1, XXI-3

O

P

S

NO2

H5C2O

H5C2O

6319. 297-97-2 0 1 0 Phosphorothioic acid, O,O-diethyl O-pyrazinyl ester {Thionazine®, Zinophos®}

V-3, XVII.B-2, XVIII.A-1, XXI-3

N

N

OP S

(OC2H5)2

6320. 298-00-0 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(4-nitrophenyl) ester {Parathion-methyl®}


O

P

S

NO2

H3CO

H3CO

6321. 299-84-3 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(2,4,5-trichlorophenyl) ester

{Fenchlorphos®; Phenchlorphos®}


O

P

SH3CO

H3CO

Cl

Cl

Cl

6322. 2104-96-3 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(4-bromo-2,5-dichlorophenyl) ester {Bromophos®}


O

P

SH3CO

H3CO

Cl

Br

Cl

6323. 333-41-5 0 1 0 Phosphorothioic acid, O,O-diethyl O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester {Diazinon®}


6324. 24017-47-8 0 1 0 Phosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester {Triazophos®}


6325. 919-86-8 0 1 0 Phosphorothioic acid, O,O-dimethyl S-[2-(ethylthio)ethyl] ester {Demeton-S-methyl®}


6326. 961-22-8 0 1 0 Phosphorothioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl) methyl] ester

V-3, XVIII.A-1, XXI-3 O

N

NN

CH2-S-P-OCH3

O

OCH3

6327. 20300-00-9 0 1 0 Phosphorothioic acid, O,O-dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]sulfinyl]ethyl] ester


6328. 2275-23-2 0 1 0 Phosphorothioic acid, O,O-dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]thio]ethyl] ester {Vamidothion®}


6329. 70898-34-9 0 1 0 Phosphorothioic acid, O,O dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]sulfonyl]ethyl] ester


6330. 122-14-5 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-nitrophenyl) ester {Fenitrothion®}


6331. 55-38-9 0 1 0 Phosphorothioic acid, O,O-dimethyl O-(4-methylthio)-3-methylphenyl ester {Fenthion®}


6332. 29232-93-7 0 1 0 Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester

{Pirimiphos-methyl®}


6333. 7723-14-0 1 1 1 Phosphorus P XX-5

6334. 1314-56-3 0 1 0 Phosphorus oxide P2O5 XX-6

234


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6335. 14596-37-3 0 1 0 Phosphorus, isotope of mass 32 32

P XX-5

6336. 9035-74-9 0 1 0 Phosphorylase XXII-2

6337. 9032-10-4 0 1 0 Phosphorylase a XXII-2

6338. 9030-28-8 0 1 0 Phosphorylase, guanosine XXII-2

6339. 0 1 0 Phosphorylase, polynucleotide XXII-2

6340. 71010-49-6 1 1 1 Phytadiene C I.B-1

6341. 0 1 0 Phytodienes I.B-1

6342. 37297-20-4 0 1 0 Phytoalexins XXII-2

6343. 0 1 0 Phytuberin V-3, XXII-2

6344. 213-46-7 1 0 0 Picene {benzo[a]chrysene}

I.E-6

6345. 30283-95-5 0 1 0 Picene, methyl- I.E-6

6346. 106-58-1 1 0 0 Piperazine, 1,4-dimethyl- XVII.B-2

6347. 106-55-8 1 0 0 Piperazine, 2,5-dimethyl- XVII.B-2

6348. 109-01-3 1 0 0 Piperazine, 1-methyl- XVII.B-2

6349. 109-07-9 1 0 0 Piperazine, 2-methyl- XVII.B-2

6350. 106-57-0 1 0 0 2,5-Piperazinedione XVII.B-2

6351. 14771-77-8 1 0 0 2,5-Piperazinedione, 3-(1-methylethyl)- XVII.B-2, XVII.C-1

6352. 61892-78-2 1 0 0 2,5-Piperazinedione, 3-(2-propenyl)- XVII.B-2, XVII.C-1

6353. 5625-46-7 1 0 0 2,5-Piperazinedione, 3,6-dimethyl- XVII.B-2, XVII.C-1

6354. 5625-53-6 1 0 0 2,5-Piperazinedione, 3-methyl- XVII.B-2, XVII.C-1

6355. 4526-77-6 1 0 0 2,5-Piperazinedione, 3-methyl-, (S)- XVII.B-2, XVII.C-1

6356. 110-89-4 1 1 1 Piperidine {azacyclohexane} NH

XVII.B-2

6357. 3350-86-5 0 1 0 Piperidine, 1-acetyl-2-(3-pyridinyl)-, (S)- XVII.B-6

6358. 1 0 0 Piperidine, C2-alkyl- XVII.B-2

6359. 1 0 0 Piperidine, C3-alkyl- XVII.B-2

6360. 1 0 0 Piperidine, C4-alkyl)- XVII.B-2

6361. 23513-39-5 1 0 0 Piperidine, 2,3-dimethyl-, cis- XVII.B-2

6362. 19683-91-1 1 0 0 Piperidine, 2,4-dimethyl-, cis- XVII.B-2

6363. 504-03-0 1 0 0 Piperidine, 2,6-dimethyl- XVII.B-2

6364. 17721-95-8 1 0 0 Piperidine, 2.6-dimethyl-1-nitroso- XV-8, XVII.B-2

6365. 0 1 0 Piperidine, 2,4-di(3-pyridinyl)- {anatalline}

N

N

NH

XVII.B-6

6366. 1484-80-6 1 0 0 Piperidine, 2-ethyl- XVII.B-2

6367. 1 0 0 Piperidine, 2-ethyl-1-nitroso- XV-8, XVII.B-2

6368. 626-67-5 0 1 0 Piperidine, 1-methyl- XVII.B-2

235


CAS No.

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T

S

T


Selected structures

Chapter

Table

6369. 626-56-2 1 0 0 Piperidine, 3-methyl- XVII.B-2

6370. 13603-07-1 1 0 0 Piperidine, 3-methyl-1-nitroso- XV-8, XVII.B-2

6371. 1 0 0 Piperidine, 4-methyl-1-nitroso- XV-8, XVII.B-2

6372. 71607-72-2 1 0 0 Piperidine, (1-methylethyl)- XVII.B-2

6373. 100-75-4 1 1 1 Piperidine, 1-nitroso- {NPIP}

XV-8, XVII.B-2

6374. 96552-69-1 1 0 0 Piperidine, 1-(1-oxooctyl)-2-(3-pyridinyl)-, (S)- XVII.B-6

6375. 62783-95-3 1 0 0 Piperidine, 1-(1-oxopentyl)-2-(3-pyridinyl)-, (S)- XVII.B-6

6376. 77-10-1 1 0 0 Piperidine, 1-(1-phenylcyclohexyl)- XVII.B-2

6377. 1 0 0 Piperidine, 1-(3-pyridinemethyl)-2-cyano-4,5-didehydro-

XVII.B-6

6378. 1 0 0 Piperidine, 1-(3-pyridinemethyl)-2-cyano- XVII.B-6

6379. 71635-28-4 0 1 0 1-Piperidinecarboxaldehyde, 2-(3-pyridinyl)-, (S)- III-12, XVII.B-6

6380. 13406-98-9 0 1 0 1-Piperidinecarboxylic acid IV.A-3, XVII.B-2

6381. 56078-09-2 1 0 0 1-Piperidinecarboxylic acid, 2-(3-pyridinyl)-, methyl ester, (S)-

V-3, XVII.B-6

N

N COO-CH3

6382. 0 1 0 2-Piperidineacetic acid, 1-nitroso- {NPIPAC} IV.A-3, XV-8, XVII.B-2

6383. 535-75-1 0 1 0 2-Piperidinecarboxylic acid {pipecolic acid} IV.A-3, XVII.B-2

6384. 4515-18-8 1 1 1 2-Piperidinecarboxylic acid, 1-nitroso-

{N-nitrosopipecolic acid: NPIC}

IV.A-3, XV-8, XVII.B-2

6385. 65445-62-7 0 1 0 3-Piperidinecarboxylic acid, 1-nitroso- IV.A-3, XV-8, XVII.B-2

6386. 6238-69-3 0 1 0 4-Piperidinecarboxylic acid, 1-nitroso- IV.A-3, XV-8, XVII.B-2

6387. 1121-89-7 1 0 0 2,6-Piperidinedione {glutarimide}

0O NH

12

34

XIV-1, XVII.B-2

6388. 1 0 0 2,6-Piperidinedione, methoxy- X-2, XIV-1, XVII.B-2

6389. 61892-70-4 1 0 0 2,6-Piperidinedione, 4-methoxy- X-2, XIV-1, XVII.B-2

6390. 72692-70-7 1 0 0 2,6-Piperidinedione, methyl- XIV-1, XVII.B-2

6391. 29553-51-3 1 0 0 2,6-Piperidinedione, 3-methyl- XIV-1, XVII.B-2

6392. 25077-26-3 1 0 0 2,6-Piperidinedione, 4-methyl- XIV-1, XVII.B-2

6393. 27154-43-4 1 0 0 Piperidinone XIV-1, XVII.B-2

6394. 675-20-7 1 1 1 2-Piperidinone {5-pentanelactam}

O

NH

XVII.B-2, XVII.C-1

6395. 61891-65-4 1 0 0 2-Piperidinone, methyl- XVII.B-2, XVII.C-1

6396. 931-20-4 1 1 1 2-Piperidinone, 1-methyl- XVII.B-2, XVII.C-1

6397. 4775-98-8 1 0 0 2-Piperidinone, 6-methyl- XVII.B-2, XVII.C-1

236


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6398. 13200-35-6 1 0 0 4-Piperidinone, 2,6-dimethyl-, cis-

O NH

CH3

CH3

III-13, XVII.B-2

6399. 69135-98-4 1 0 0 4-Piperidinone, 2,6-dimethyl-, trans- III-13, XVII.B-2

6400. 3311-23-7 1 0 0 4-Piperidinone, 2,2,6-trimethyl-, (R)- III-13, XVII.B-2

6401. 0 1 0 Plastochromenol {solanachromene isomer} IX.A-22

6402. 0 1 0 Plastoquinol IX.B-2

6403. 11005-16-6 0 1 0 Plastoquinone C IX.B-2

6404. 12778-15-3 0 1 0 Plastoquinone D IX.B-2

6405. 4299-57-4 0 1 0 Plastoquinone 9 IX.B-2 O

O

[ ]7H3C

H3C

CH3 CH3 CH3

CH3

6406. 7440-06-4 0 1 0 Platinum Pt XX-5

6407. 13981-16-3 0 1 0 Plutonium, isotope of mass 238 238

Pu XX-5


Pu XX-5


Pu XX-5

6410. 7440-08-6 1 1 1 Polonium Po XX-5

6411. 13981-52-7 1 1 1 Polonium, isotope of mass 210 210

Po XX-5

6412. 25322-68-3 0 1 0 Poly(oxy-1,2-ethanediyl), α-hydro-ω-hydroxy- II.A-5

6413. 9032-75-1 0 1 0 Polygalacturonase XXII-2

6414. 152415-56-0 0 1 0 Polygalacturonase (tobacco clone G27.1/G27.2 gene Npg1 precursor reduced)

XXII-2

6415. 0 1 0 Polymerase, nucleic acid deoxyribo XXII-2

6416. 0 1 0 Polyphenoloxidase XXII-2

6417. 0 1 0 Poly(U)polymerase XXII-2

6418. 159965-71-6 0 1 0 Polyubiquitin (Nicotiana tabacum clone Ubi.U4 gene Ubi.U4)

XXII-2

6419. 101-60-0 1 1 1 21H,23H-Porphine {porphyrin}

N

N N

N

H

H

XVII.A-4

6420. 644-00-8 1 0 0 21H,23H-Porphine-2-propanoic acid, 8,13-diethyl-3,7,12,17-tetramethyl-

IV.A-3, XVII.A-4

6421. 1976-85-8 0 1 0 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-

IV.A-3, XVII.A-4

6422. 9055-40-7 0 1 0 Porphobilinogenase XXII-2

6423. 7440-09-7 1 1 1 Potassium K XX-5

6424. 13966-00-2 1 1 1 Potassium, isotope of mass 40 40

K XX-5

6425. 14378-21-3 0 1 0 Potassium, isotope of mass 42 42

K XX-5

6426. 7447-40-7 1 1 1 Potassium chloride KCl XX-6

237


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6427. 12136-45-7 0 1 0 Potassium oxide K2O XX-6

6428. 24203-36-9 1 0 0 Potassium, ion K+1

XX-5

6429. 7440-10-0 1 1 1 Praseodymium Pr XX-5

6430. 57-83-0 0 1 0 Pregn-4-ene-3,20-dione III-13

6431. 145-13-1 0 1 0 Pregn-5-en-20-one, 3-hydroxy-, (3β)- II.A-5, III-13

6432. 32378-60-2 0 1 0 Pregnan-20-one, 3-[(1-oxohexadecyl)oxy]-, (3β,5α)- III-13

6433. 147-85-3 1 1 1 L-Proline IV.A-3, IV.B-7, XVII.A-4

NH

COOH

6434. 147427-29-0 0 1 0 L-Proline, 1-[1-[1-(1-L-seryl-L-prolyl)-L-prolyl]-L-prolyl]-

IV.A-3, IV.B-7, XVII.A-4

6435. 18610-59-8 0 1 0 L-Proline, 1-hydroxy- IV.A-3, IV.B-7, XVII.A-4

6436. 7519-36-0 1 1 1 L-Proline, 1-nitroso- {NPRO} IV.A-3, IV.B-7, XV-8, XVII.A-4

NCOOH

NO

6437. 1 1 1 L-Proline, 1-nitroso-, methyl ester V-3, XV-8, XVII.A-4

COO-CH3N

NO

6438. 62137-28-4 0 1 0 L-Proline, 4-[(O-β-L-arabinofuranosyl-(1→2)-O-β-L-

arabinofuranosyl-(1→2)-β-L-arabinofuranosyl)oxy]-, trans-

II.A-5, IV.A-3, IV.B-7, XVII.A-4

6439. 62137-29-5 0 1 0 L-Proline, 4-[(O-β-L-arabinofuranosyl-(1→3)-O-β-L-

arabinofuranosyl-(1→2)-O-β-L-arabinofuranosyl-

(1→2)-β-L-arabinofuranosyl)oxy]-, trans-

II.A-5, IV.A-3, IV.B-7, XVII.A-4

6440. 51-35-4 0 1 0 L-Proline, 4-hydroxy-, trans- II.A-5, XVII.A-4

6441. 30310-80-6 0 1 0 L-Proline, 4-hydroxy-1-nitroso-, trans- {NHPRO} II.A-5, XV-8, XVII.A-4

6442. 463-49-0 1 0 0 1,2-Propadiene {allene} H2C=C=CH2 I.B-1

6443. 123-38-6 1 1 1 Propanal {propionaldehyde} H3C-CH2-CH=O III-12

6444. 630-19-3 1 0 0 Propanal, 2,2-dimethyl- {pivalaldehyde} (H3C)3≡C-CH=O III-12

6445. 367-47-5 1 1 1 Propanal, 2,3-dihydroxy- {glyceraldehyde} HOCH2-CH2OH-CH=O II.A-5, III-12

6446. 142-10-9 0 1 0 Propanal, 2,3-dihydroxy-, 3-phosphate II.A-5, III-12

6447. 78-84-2 1 1 1 Propanal, 2-methyl- {isobutyraldehyde} (H3C)2=CH-CH=O III-12

6448. 1646-87-3 0 1 0 Propanal, 2-methyl-2-(methylsulfinyl)-, O-[(methylamino)carbonyl]oxime

{Aldicarb Sulfoxide®}

III-12, XVIII.A-1, XXI-3

6449. 1646-88-4 0 1 0 Propanal, 2-methyl-2-(methylsulfonyl)-, O-[(methylamino)carbonyl]oxime {Aldoxycarb®}


O

NH

SOO

N

O

238


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6450. 116-06-3 0 1 0 Propanal, 2-methyl-2-(methylthio)-, O-[(methylamino)carbonyl]oxime {Aldicarb®}


SNH

O

N

O

6451. 0 1 0 Propanal, 3-(nitrosomethylamino)- H3C-N(NO)-(CH2)2-CHO III-12, XV-8

6452. 78-98-8 1 1 1 Propanal, 2-oxo- {pyruvaldehyde; methylglyoxal} H3C-CO-CH=O III-12, III-13

6453. 0 1 0 Propanal, 2-oxo-3-hydroxy- {reductone} HOCH2-CO-CH=O II.A-5, III-12, III-13

6454. 3268-49-3 1 1 1 Propanal, 3-(methylthio)- {methional} III-12, XVIII.A-1

6455. 79-05-0 1 0 0 Propanamide H3C-CH2-CO-NH2 XIII-1

6456. 7324-05-2 0 1 0 Propanamide, 2-amino-, (S)- H3C-CH(NH2)-CO-NH2 XII-2, XIII-1

6457. 563-83-7 1 0 0 Propanamide, 2-methyl- (H3C)2=CH-CO-NH2 XIII-1

6458. 631-66-3 1 0 0 Propanamide, 2-oxo- {pyruvamide} H3C-CO-CO-NH2 III-3, XIII-1

6459. 61892-68-0 1 0 0 Propanamide, 3-cyano- NC-CH2-CH2-CO-NH2 XI-2, XIII-1

6460. 15299-99-7 0 1 0 Propanamide, diethyl-2-(1-naphthyloxy)- {Devrinol®; (Napropamide®}

XIII-1, XXI-3

O-CH(CH3)-CO-N=(C2H5)2

6461. 2675-88-9 1 0 0 Propanamide, N,2-dimethyl- H3C-CH(CH3)-CO-NH-CH3 XIII-1

6462. 35256-85-0 0 1 0 Propanamide, dimethyl-N-(1-methylethyl)-N-(phenylmethyl) {Butam®}

XIII-1, XXI-3

NCH(CH3)2

C-C(CH3)3O=

6463. 5129-72-6 1 0 0 Propanamide, N-ethyl- H3C-CH2-CO-NH-CH2-CH3 XIII-1

6464. 1187-58-2 1 0 0 Propanamide, N-methyl- H3C-CH2-CO-NH-CH3 XIII-1

6465. 25457-49-2 1 0 0 Propanamide, N-methyl-N-(1-oxopropyl)- XIII-1

6466. 107-10-8 1 1 1 1-Propanamine H3C-(CH2)2-NH2 XII-2

6467. 5813-64-9 1 0 0 1-Propanamine, 2,2-dimethyl- H3C-C(CH3)2CH2-NH2 XII-2

6468. 625-43-4 1 1 1 1-Propanamine, N,2-dimethyl- H3C-CH(CH3)CH2-NH-CH3 XII-2

6469. 34419-76-6

2504-18-9

1 0 0 1-Propanamine, N,2-dimethyl-N-nitroso- H3C-CH(CH3)CH2-N(NO)-CH3 XII-2, XV-8

6470. 71607-99-3 1 1 1 1-Propanamine, N-ethyl-2-methyl-N-nitroso- H3C-CH(CH3)CH2-N(NO)-CH2CH3 XV-8

6471. 25413-61-0 1 1 1 1-Propanamine, N-ethyl-N-nitroso- H3C-(CH2)2-N(NO)-CH2CH3 XV-8

6472. 627-35-0 1 1 1 1-Propanamine, N-methyl- H3C-(CH2)2-NH-CH3 XII-2

6473. 78-81-9 1 1 1 1-Propanamine, 2-methyl- (H3C)2=CH-CH2-NH2 XII-2

6474. 1 0 0 1-Propanamine, 2-methyl-, N-butyl- (H3C)2=CH-CH2-NH-(CH2)3-CH3 XII-2

6475. 1 0 0 1-Propanamine, 2-methyl-, N-(2-methylpropyl)-N-nitroso-

XV-8

6476. 21968-17-2 1 1 1 1-Propanamine, N-(1-methylethyl)- H3C-(CH2)2-NH-CH=(CH3)2 XII-2

6477. 22023-64-9 1 0 0 1-Propanamine, N-(1-methylethylidene)- H3C-(CH2)2-NH-C(CH3)=CH2 XII-2

6478. 924-46-9 1 1 1 1-Propanamine, N-methyl-N-nitroso- {NMPA} H3C-(CH2)2-N(NO)-CH3 XV-8

6479. 3405-42-3 1 0 0 1-Propanamine, N-methyl-N-propyl- (H3C-CH2CH2)2=N-CH3 XII-2

6480. 621-64-7 1 1 1 1-Propanamine, N-nitroso-N-propyl- {NDPA} (H3C-CH2CH2)2=N-NO XV-8

6481. 142-84-7 1 1 1 1-Propanamine, N-propyl- (H3C-CH2CH2)2=NH XII-2

239


CAS No.

S

T

S

T


Selected structures

Chapter

Table

6482. 7239-24-9 0 1 0 1-Propanamine, N,N,2-trimethyl- (H3C)2=CH-CH2-N=(CH3)2 XII-2

6483. 75-31-0 1 1 1 2-Propanamine (H3C)2=CH-NH2 XII-2

6484. 75-64-9 1 1 1 2-Propanamine, 2-methyl- (H3C)3≡C-NH2 XII-2

6485. 7515-80-2 1 0 0 2-Propanamine, 2-methyl-N-(1-methylethyl)- (H3C)3≡C-NH-CH(CH3)2 XII-2

6486. 3376-24-7 1 0 0 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide

XII-2

6487. 1 0 0 2-Propanamine, N-(2,2-dimethylethyl)- XII-2

6488. 4747-21-1 1 1 1 2-Propanamine, N-methyl- (H3C)2=CH-NH-CH3 XII-2

6489. 108-18-9 1 0 0 2-Propanamine, N-(1-methylethyl)- (H3C)2=CH-NH-CH=(CH3)2 XII-2

6490. 601-77-4 1 0 0 2-Propanamine, N-(1-methylethyl)-N-nitroso [(H3C)2=CH]2-N-NO XV-8

6491. 3332-08-9 1 0 0 2-Propanamine, N-(1-methylethylidene)- XII-2

6492. 1 0 0 2-Propanamine, N-(2-methylpropyl)- XII-2

6493. 1 1 1 2-Propanamine, N-propyl- XII-2

6494. 74-98-6 1 0 0 Propane H3C-CH2-CH3 I.A-10

6495. 96-12-8 0 1 0 Propane, 1,2-dibromo-3-chloro- {DBCP®} XVIII.B-3, XXI-3

6496. 78-87-5 0 1 0 Propane, 1,2-dichloro- XVIII.B-3, XXI-3

6497. 142-28-9 0 1 0 Propane, 1,3-dichloro- XVIII.B-3, XXI-3

6498. 4110-50-3 1 0 0 Propane, 1-(ethylthio)- H3C-(CH2)2-S-CH2-CH3 XVIII.A-1

6499. 3877-15-4 1 0 0 Propane, 1-(methylthio)- H3C-(CH2)2-S-CH3 XVIII.A-1

6500. 505-84-0 1 0 0 Propane, 1,1'-[methylenebis(oxy)]bis- X-2

6501. 76-19-7 0 1 0 Propane, octafluoro-

{Freon® 218; Perfluoropropane}

CF3CF2CF3 XVIII.B-3

6502. 111-43-3 1 0 0 Propane, 1,1'-oxybis- {dipropyl ether} [H3C-(CH2)2]2=O X-2

6503. 111-47-7 1 0 0 Propane, 1,1'-thiobis- {dipropyl sulfide} [H3C-(CH2)2]2=S XVIII.A-1

6504. 592-65-4 1 0 0 Propane, 1,1'-thiobis[2-methyl- {diisobutyl sulfide} [(H3C)2=CH)2]2=S XVIII.A-1

6505. 108-03-2 1 0 0 Propane, 1-nitro- H3C-(CH2)2-NO2 XVI-1

6506. 75-28-5 1 0 0 Propane, 2-methyl- {isobutane} (H3C)2=CH-CH3 I.A-10

6507. 79-46-9 1 0 0 Propane, 2-nitro- (H3C)2=CH-NO2 XVI-1

6508. 542-78-9 1 0 0 Propanedial H2C=(CH=O)2 III-12

6509. 4464-20-4 1 0 0 Propanedial, dihydroxy- (HO)2=C=(CH=O)2 II.A-5, III-12

6510. 497-16-5 1 0 0 Propanedial, oxo- O=C=(CH=O)2 III-12, III-13

6511. 56-18-8 1 0 0 1,3-Propanediamine, N-3-aminopropyl)- {norspermidine}

XII-2

6512. 141-82-2 1 1 1 Propanedioic acid {malonic acid} H2C=(COOH)2 IV.A-3

6513. 108-59-8 0 1 0 Propanedioic acid, dimethyl ester H2C=(COO-CH3)2 V-3

6514. 80-69-3 1 1 1 Propanedioic acid, hydroxy- HO-CH=(COOH)2 II.A-5, IV.A-3

6515. 516-05-2 0 1 0 Propanedioic acid, methyl- H3C-CH=(COOH)2 IV.A-3

6516. 607-81-8 1 0 0 Propanedioic acid, (phenylmethyl)-, diethyl ester V-3

6517. 57-55-6 1 1 1 1,2-Propanediol {propylene glycol} H3C-CHOH-CH2OH II.A5

6518. 627-69-0 1 1 1 1,2-Propanediol, 1-acetate H3C-CHOH-CH2-OOC-CH3 II.A5, V-3

6519. 6214-01-3 1 1 1 1,2-Propanediol, 2-acetate H3C-CH(OOC-CH3)-CH2OH II.A5, V-3

6520. 96-24-2 1 0 0 1,2-Propanediol, 3-chloro- Cl-CH2-CHOH-CH2OH II.A5, XVIII.B-3

240


CAS No.

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T

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Selected structures

Chapter

Table

6521. 10602-14-9 0 1 0 1,2-Propanediol, 1-(dihydrogen phosphate) II.A-5

6522. 20390-21-0 1 0 0 1,2-Propanediol, 3-(furfuryloxy)- II. A-5, X-2

6523. 115888-33-0 0 1 0 1,2-Propanediol, 2-(1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-2-naphthalenyl)-, [2S-

[2α(S*),8α,8aβ]]-

II.A-5

6524. 99694-82-3 0 1 0 1,2-Propanediol, 2-(1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-2-naphthalenyl)-, [2R-

[2α(S*),8β,8aα]]-

II.A-5

6525. 115788-21-1 0 1 0 1,2-Propanediol, 2-(1,2,3,5,6,7,8,8a-octahydro-3-hydroxy-8,8a-dimethyl-2-naphthalenyl)-, [2S-

[2α(S*),3α,8β,8aα]]-

II.A-5

6526. 115788-20-0 0 1 0 1,2-Propanediol, 2-(1,2,3,5,6,7,8,8a-octahydro-5-hydroxy-8,8a-dimethyl-2-naphthalenyl)-, [2R-

[2α(R*),5α,8.

II.A-5

6527. 54541-18-3 1 0 0 1,2-Propanediol, 2-propanoate II.A-5, V-3

6528. 504-63-2 1 1 1 1,3-Propanediol {trimethylene glycol} HOCH2-CH2-CH2OH II.A-5

6529. 126-30-7 1 0 0 1,3-Propanediol, 2,2-dimethyl- II.A-5

6530. 1438-92-2 1 1 1 1,2-Propanedione, 1-(2-furanyl)- III-13

6531. 2034-60-8 0 1 0 1,2-Propanedione, 1-(4-hydroxy-3-methoxyphenyl)- III-13, X-2

6532. 1197-20-2 1 1 1 1,2-Propanedione, 1-(5-methyl-2-furanyl)- III-13

6533. 579-07-7 1 0 0 1,2-Propanedione, 1-phenyl- III-13

6534. 107-12-0 1 0 0 Propanenitrile H3C-CH2-CN XI-2

6535. 78-97-7 1 0 0 Propanenitrile, 2-hydroxy- H3C-CHOH-CN II.A-5, XI-2

6536. 75-86-5 1 0 0 Propanenitrile, 2-hydroxy-2-methyl- (H3C)2=COH-CN II.A-5, XI-2

6537. 78-82-0 1 1 1 Propanenitrile, 2-methyl- {isobutyronitrile} (H3C)2=CH-CN XI-2

6538. 78-67-1 0 1 0 Propanenitrile, 2-methyl-, 2,2’-azobis- {Porofor-57®}

XI-2

6539. 631-57-2 1 0 0 Propanenitrile, 2-oxo- H3C-CO-CN III-13, XI-2

6540. 60153-49-3 1 1 1 Propanenitrile, 3-(methylnitrosoamino)- {MNPN) H3C-N(NO)-(CH2)2-CN XI-2, XV-8

6541. 1738-25-6 1 0 0 Propanenitrile, 3-(dimethylamino)- XI-2, XII-2

6542. 111-97-7 1 0 0 Propanenitrile, 3,3'-thiobis- XI-2, XVIII.A-1

6543. 107-03-9 1 0 0 1-Propanethiol {propyl mercaptan} XVIII.A-1

6544. 513-44-0 1 0 0 1-Propanethiol, 2-methyl- {isobutyl mercaptan} XVIII.A-1

6545. 75-33-2 1 0 0 2-Propanethiol {isopropyl mercaptan} XVIII.A-1

6546. 30810-51-6 0 1 0 1,2,3-Propanetricarboxylic acid, 1-hydroxy- {isocitric acid}

HO-CH-COOH

H-C-COOH

H2C-COOH

II.A-5, IV.A-3

6547. 77-92-9 1 1 1 1,2,3-Propanetricarboxylic acid, 2-hydroxy- {citric acid}

H2C-COOH

C-COOHHO-

H2C-COOH

II.A-5, IV.A-3

6548. 58308-53-5 0 1 0 1,2,3-Propanetricarboxylic-1,3-14

C2 acid, 2-hydroxy-, labeled with

14C {citric acid-

14C}

XXV-29

6549. 3609-96-9 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, dipotassium salt

II.A-5, XX-6

241


CAS No.

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Selected structures

Chapter

Table

6550. 1 0 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monomethyl ester

II.A-5, V-3

6551. 18996-35-5 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monosodium salt

II.A-5, XX-6

6552. 866-84-2 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt

II.A-5, XX-6

6553. 68-04-2 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt

II.A-5, XX-6

6554. 77-93-0 0 1 0 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, triethyl ester {triethyl citrate}

II.A-5, V-3

6555. 56-81-5 1 1 1 1,2,3-Propanetriol {glycerol} HOCH2-CHOH-CH2OH II.A-5

6556. 1 1 1 1,2,3-Propanetriol, labeled with 14

C {glycerol-

14C}

XXV-29

6557. 61892-59-9 1 0 0 1,2,3-Propanetriol, 1-acetate 2-formate II.A-5, V-3

6558. 25395-31-7 1 1 1 1,2,3-Propanetriol, diacetate {diacetin} II.A-5, V-3

6559. 57-03-4 0 1 0 1,2,3-Propanetriol, 1-(dihydrogen phosphate) II.A-5

6560. 927-20-8 0 1 0 1,2,3-Propanetriol, 1-(dihydrogen phosphate), magnesium salt (1:1)

II.A-5, XX-6

6561. 17603-42-8 0 1 0 1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt

II.A-5, XX-6

6562. 1335-34-8 0 1 0 1,2,3-Propanetriol, mono(dihydrogen phosphate), potassium salt

II.A-5, XX-6

6563. 26446-35-5 1 1 1 1,2,3-Propanetriol, monoacetate {monoacetin} II.A-5, V-3

6564. 72692-68-3 1 0 0 1,2,3-Propanetriol, monoformate II.A-5, V-3

6565. 0 1 0 1,2,3-Propanetriol, phosphatidyl- II.A-5

6566. 62244-24-0 1 0 0 1,2,3-Propanetriol, 1-propanoate, (R)- II.A-5, V-3

6567. 102-76-1 1 1 1 1,2,3-Propanetriol, triacetate {triacetin} V-3

6568. 0 1 0 1,2,3-Propanetriol, tri-9,12-octadecadienatepropanoate

V-3

6569. 139-45-7 1 0 0 1,2,3-Propanetriol, tripropanoate V-3

6570. 555-45-3 0 1 0 1,2,3-Propanetriol, tritetradecanoate {trimyristin} V-3

6571. 79-09-4 1 1 1 Propanoic acid {propionic acid} H3C-CH2-COOH IV.A-3

6572. 590-01-2 0 1 0 Propanoic acid, butyl ester V-3

6573. 76578-14-8 0 1 0 Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, ethyl ester {Quizalofop-Et®}

XVIII.B-3, XXI-3

Cl

N

N

O O

O

O

C2H5

6574. 75-98-9 0 1 0 Propanoic acid, 2,2-dimethyl- {pivalic acid} (H3C)3≡C-COOH IV.A-3

6575. 473-81-4 1 1 1 Propanoic acid, 2,3-dihydroxy- {glyceric acid} HOCH2-CHOH-COOH II.A-5, IV.A-3

6576. 6000-40-4 0 1 0 Propanoic acid, 2,3-dihydroxy-, (R)- II.A-5, IV.A-3

6577. 82546-67-6 1 0 0 Propanoic acid, 3-(ethoxycarbonyl)-3-(1-cyclohexenenyl)-

IV.A-3

6578. 50-21-5

598-82-3

1 1 1 Propanoic acid, 2-hydroxy- {lactic acid} H3C-CHOH-COOH II.A-5, IV.A-3

6579. 97-73-4 0 1 0 Propanoic acid, 2-hydroxy-, anhydride VII-1

242


CAS No.

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T

S

T


Selected structures

Chapter

Table

6580. 97-64-3 1 1 1 Propanoic acid, 2-hydroxy-, ethyl ester {ethyl lactate}

H3C-CHOH-COO-C2H5 II.A-5, V-3

6581. 547-64-8 1 0 0 Propanoic acid, 2-hydroxy-, methyl ester H3C-CHOH-COO-CH3 II.A-5, V-3

6582. 16595-31-6 0 1 0 Propanoic acid, 2-hydroxy-, sodium salt H3C-CHOH-COO-Na II.A-5, XX-6

6583. 594-61-6 0 1 0 Propanoic acid, 2-hydroxy-2-methyl- (H3C)2=COH-COOH IV.A-3

6584. 820-11-1 0 1 0 Propanoic acid, 2-hydroxy-3-(phosphonooxy)- II.A-5, IV.A-3

6585. 79-31-2 1 1 1 Propanoic acid, 2-methyl- {isobutyric acid} (H3C)2=CH-COOH IV.A-3

6586. 97-89-2 0 1 0 Propanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester

V-3

6587. 97-62-1 0 1 0 Propanoic acid, 2-methyl-, ethyl ester V-3

6588. 37704-28-2 0 1 0 Propanoic acid, 2-methyl-, 3,5,5-trimethyl-4-(3-oxo-1-butenyl)-3-cyclohexen-1-yl ester

V-3

6589. 547-63-7 0 1 0 Propanoic acid, 2-methyl-, methyl ester (H3C)2=CH-COO-CH3 V-3

6590. 0 1 0 Propanoic acid, 2-methyl-, 2-methylbutyl ester V-3

6591. 0 1 0 Propanoic acid, 2-methyl-, 3-methylbutyl ester V-3

6592. 65416-14-0 0 1 0 Propanoic acid, 2-methyl-, 2-methyl-4-oxo-4H-pyran-3-yl ester

V-3, X-2

6593. 103-93-5 0 1 0 Propanoic acid, 2-methyl-, 4-methylphenyl ester

{p-tolyl isobutyrate}

V-3

6594. 109-15-9 0 1 0 Propanoic acid, 2-methyl-, octyl ester V-3

6595. 103-48-0 0 1 0 Propanoic acid, 2-methyl-, phenylethyl ester V-3

6596. 103-28-6 0 1 0 Propanoic acid, 2-methyl-, phenylmethyl ester V-3

6597. 103-59-3 0 1 0 Propanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester

V-3

6598. 0 1 0 Propanoic acid, 2-methylbutyl ester V-3

6599. 127-17-3 0 1 0 Propanoic acid, 2-oxo- {pyruvic acid} H3C-CO-COOH III-13, IV.A-5

6600. 617-35-6 1 0 0 Propanoic acid, 2-oxo-, ethyl ester H3C-CO-COO-C2H5 III-13, V-3

6601. 600-22-6 1 0 0 Propanoic acid, 2-oxo-, methyl ester H3C-CO-COO-CH3 III-13, V-3

6602. 3913-50-6 0 1 0 Propanoic acid, 2-oxo-3-(phosphonooxy)- III-13, IV.A-3

6603. 69806-50-4 0 1 0 Propanoic acid, 2-(4-(5-trifluoromethyl-2-pyridyloxy)phenoxy)-, butyl ester {Fluazifop-butyl®}


ON

F3C O

O O-(CH2)3-CH3

6604. 4272-12-2 1 0 0 Propanoic acid, 3-(acetyloxy)- H3C-COO-(CH2)2-COOH IV.A-3, V-3

6605. 503-66-2 1 1 1 Propanoic acid, 3-hydroxy- HO-(CH2)2-COOH II.A-5, IV.A-3

6606. 4835-90-9 0 1 0 Propanoic acid, 3-hydroxy-,2,2-dimethyl- {hydroxypivalic acid}

HOH2C-C(CH3)2-COOH II.A-5, IV.A-3

6607. 1 0 0 Propanoic acid, 3-hydroxyphenyl- IV.A-3, IX.A-22

6608. 935-13-7 1 0 0 Propanoic acid, 3-(2-furanyl)- IV.A-3, X-2

6609. 1 0 0 Propanoic acid, 3-(4-hydroxyphenyl)-, methyl ester- V-3, IX.A-22

6610. 1456-08-2 1 0 0 Propanoic acid, 3-(5-methyl-2-furanyl)- IV.A-3, X-2

6611. 1 0 0 Propanoic acid, 3-hydroxy-, 2-methylamino-, propyl ester

II.A-5, V-3, XII-2

6612. 2553-59-5 0 1 0 Propanoic acid, 3-hydroxy-2-(phosphonooxy)- II.A-5, IV.A-3

6613. 1113-60-6 0 1 0 Propanoic acid, 3-hydroxy-2-oxo- II.A-5, III-13, IV.A-3

243


CAS No.

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T

S

T


Selected structures

Chapter

Table

6614. 2544-06-1 0 1 0 Propanoic acid, 3-methoxy- IV.A-3, X-2

6615. 105-68-0 0 1 0 Propanoic acid, 3-methylbutyl ester V-3

6616. 0 1 0 Propanoic acid, 3-(methylnitrosoamino)- {NMPA} H3C-N(NO)-(CH2)2-COOH IV.A-3, XV-8

6617. 13532-18-8 0 1 0 Propanoic acid, 3-(methylthio)-, methyl ester

H3C-(CH2)2-COO-CH3

V-3, XVIII.A-1

6618. 103-56-0 0 1 0 Propanoic acid, 3-phenyl-2-propenyl ester {cinnamyl propionate}

V-3

6619. 0 1 0 Propanoic acid, 4-hydroxyphenyl- IV.A-3, IX.A-22

6620. 105-38-4 0 1 0 Propanoic acid, ethenyl ester H3C-CH2-COO-CH=CH2 V-3

6621. 105-37-3 1 1 1 Propanoic acid, ethyl ester {ethyl propionate} H3C-CH2-COO-C2H5 V-3

6622. 554-12-1 1 1 1 Propanoic acid, methyl ester H3C-CH2-COO-CH3 V-3

6623. 122-63-4 0 1 0 Propanoic acid, phenylmethyl ester

{benzyl propionate}

V-3

6624. 71-23-8 1 1 1 1-Propanol H3C-CH2-CH2OH II.A-5

6625. 78-83-1 1 1 1 1-Propanol, 2-methyl- {isobutyl alcohol} (H3C)2=CH-CH2OH II.A-5

6626. 108-61-2 1 0 0 1-Propanol, 2,2'-oxybis- II.A-5, X-2


6628. 67-63-0 1 1 1 2-Propanol II.A-5


6630. 127-00-4 1 0 0 2-Propanol, 1-chloro- II.A-5, XVIII.B-3

6631. 0 1 0 2-Propanol, 2-(2-ethyl-1,3-dimethylcyclopenten-2-yl)-

II.A-5

6632. 107-98-2 0 1 0 2-Propanol, 1-methoxy- II.A-5, X-2

6633. 75-65-0 1 0 0 2-Propanol, 2-methyl- {tert-butanol} (H3C)3≡C-OH II.A-5

6634. 1 0 0 1-Propanone, 1-(dimethylhydroxyphenyl)- III-13, IX.A-22

6635. 1 0 0 1-Propanone, 1-(3,5-dimethyl-4-hydroxyphenyl)- III-13, IX.A-22

6636. 1 0 0 1-Propanone, 1-(2-furanyl)- III-13, X-2

6637. 1 0 0 1-Propanone, 1-(3-furanyl)- III-13, X-2

6638. 1 0 0 1-Propanone, 1-(2-hydroxyphenyl)- III-13, IX.A-22


6640. 1 0 0 1-Propanone, 1-(2-methylphenyl)- III-13

6641. 51772-30-6 1 0 0 1-Propanone, 1-(3-methylphenyl)- III-13

6642. 93-55-0 1 1 1 1-Propanone, 1-phenyl- {propiophenone} C6H5-CO-CH2-CH3 III-13

6643. 1 0 0 1-Propanone, 1-phenyl-3-hydroxy- II.A-5, III-13

6644. 1 0 0 1-Propanone, 1-(2-pyridinyl)- III-13, XVII.B-2

6645. 1 0 0 1-Propanone, 1-(2-pyridinyl)-2-methyl- III-13, XVII.B-2

6646. 1 1 1 1-Propanone, 1-(3-pyridinyl)- {pyridyl ethyl ketone} III-13, XVII.B-2

6647. 1 0 0 1-Propanone, 1-(4-methyl-2-pyridinyl)- III-13, XVII.B-2

6648. 1 0 0 1-Propanone, 1-(4-pyridinyl)- III-13, XVII.B-2

6649. 1 1 1 1-Propanone, 1-(1H-pyrrol-2-yl)- III-13, XVII.A-4

6650. 80933-75-1 0 1 0 1-Propanone, 1-[2-(3,4,5,6-tetrahydropyridinyl)]- III-13, XVII.B-2

6651. 67-64-1 1 1 1 2-Propanone {acetone} H3C-CO-CH3 III-13

244


CAS No.

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T

S

T


Selected structures

Chapter

Table

6652. 592-20-1 1 0 0 2-Propanone, 1-(acetyloxy)- H3C-CO-CH2-OOC-CH3 III-13, V-3

6653. 298-08-8 1 0 0 2-Propanone, 1-amino- H3C-CO-CH2-NH2 III-13, XII-2

6654. 78-95-5 1 0 0 2-Propanone, 1-chloro- H3C-CO-CH2-Cl III-13, XVIII.B-3

6655. 10258-70-5 0 1 0 2-Propanone, 1-(formyloxy)- H3C-CO-CH2-OOC-H III-13, V-3

6656. 116-09-6 1 1 1 2-Propanone, 1-hydroxy- {acetol} H3C-CO-CH2-OH II.A-5, III-13

6657. 1 0 0 2-Propanone, 1-hydroxy-, 2-furoyl ester III-13, V-3, X-2

COOCH2-CO-CH3O

6658. 57-04-5 0 1 0 2-Propanone, 1-hydroxy-3-(phosphonooxy)- II.A-5, III-13

6659. 122-84-9 0 1 0 2-Propanone, 1-(4-methoxyphenyl)- III-13

6660. 496-49-1 0 1 0 2-Propanone, 1-(1-methyl-2-pyrrolidinyl)- III-13, XVII.A-4

6661. 103-79-7 1 1 1 2-Propanone, 1-phenyl- III-13

6662. 20194-70-1 1 1 1 2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)-

III-13, X-2

6663. 0 1 0 2-Propanone, 1-[tetrahydro-(2-methyl-5-methylethyl)-2-furanyl]-

O

CH3

CH3

CH3

H3CO

III-13, X-2

6664. 38713-24-5 0 1 0 2-Propanone, 1-[tetrahydro-3-(1-methylethyl)-2-furanyl]-, trans-

H3CH3C

CH3

O

O

III-13, X-2

6665. 39815-69-5 0 1 0 2-Propanone, 1-[tetrahydro-4-(1-methylethyl)-2-furanyl]-

III-13, X-2

6666. 39815-68-4 0 1 0 2-Propanone, 1-[tetrahydro-6-methyl-3-(1-methylethyl)-2H-pyran-2-yl]- {2 isomers reported}

O

CH3

CH3

H3C CH2-CO-CH3

III-13, X-2

6667. 0 1 0 2-Propanone, 1-[tetrahydro-6-methyl-4-(1-methylethyl)-2H-pyran-2-yl]-

III-13, X-2

6668. 6975-60-6 1 1 1 2-Propanone, 1-(2-furanyl)- III-13, X-2

6669. 0 1 0 2-Propanone, 1-[2-hydroxy-5-(1-methylethyl)-2-methyl-1-cyclopentyl]-

II.A-5, III-13

6670. 13100-05-5 1 0 0 2-Propanone, 1-(2-hydroxyphenyl)- III-13, IX.A-22

6671. 5211-62-1 1 0 0 2-Propanone, 1-(2-methoxyphenyl)- III-13

6672. 1 0 0 2-Propanone, 1-(2-tetrahydrofuranyl)- III-13


6674. 18826-61-4 1 0 0 2-Propanone, 1-(3-methylphenyl)- III-13

6675. 6302-03-0 1 1 1 2-Propanone, 1-(3-pyridinyl)- III-13, XVII.B-2

6676. 0 1 0 2-Propanone, 1-(1,5-dimethyl-6,8-dioxabicyclo[3.2.1)oct-7-yl)-

III-13, X-2

6677. 96-26-4 1 0 0 2-Propanone, 1,3-dihydroxy- II.A-5, III-13

6678. 0 1 0 2-Propanone, 1-(3,4-dihydro-6-methylpyran-2-yl)- III-13, X-2

245


CAS No.

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T

S

T


Selected structures

Chapter

Table

6679. 19037-58-2 1 0 0 2-Propanone, 1-(3,5-dimethoxy-4-hydroxyphenyl)- III-13, IX.A-22, X-2

6680. 16695-72-0 1 1 1 2-Propanone, 1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, (E)-

III-13

6681. 16695-73-1 1 1 1 2-Propanone, 1-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-, (Z)-

III-13

6682. 2503-46-0 1 1 1 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)- III-13, IX.A-22

6683. 770-39-8 1 0 0 2-Propanone, 1-(4-hydroxyphenyl)- III-13, IX.A-22

6684. 6304-16-1 1 0 0 2-Propanone, 1-(4-pyridinyl)- III-13, XVII.B-2

6685. 13678-74-5 1 1 1 2-Propanone, 1-(5-methyl-2-furanyl)- III-13, X-2

6686. 50672-03-2 1 0 0 2-Propanone, 1-[5-(hydroxymethyl)-2-furanyl]- II.A-5, III-13, X-2

6687. 107-02-8 1 1 1 2-Propenal {acrolein} H2C=CH-CH=O III-12

6688. 636-38-4 0 1 0 2-Propenal, 2,3-dihydroxy- II.A-5, III-12

6689. 78-85-3 1 1 1 2-Propenal, 2-methyl- {methacrolein} H2C=C(CH3)-CH=O III-12

6690. 31704-79-7 1 0 0 2-Propenal, 2-methyl-3-(5-methyl-2-furanyl)- III-12, X-2

6691. 101-39-3 0 1 0 2-Propenal, 2-methyl-3-phenyl- III-12

6692. 79407-66-2 0 1 0 2-Propenal, 3-(2,4-dihydroxyphenyl)- III-12, IX.A-22

6693. 874-66-8 1 0 0 2-Propenal, 3-(2-furanyl)-2-methyl- III-12, X-2

6694. 104-55-2 1 1 1 2-Propenal, 3-phenyl- {cinnamaldehyde} III-12

6695. 14371-10-9 0 1 0 2-Propenal, 3-phenyl-, (E)-

{trans-cinnamaldehyde}

III-12

6696. 122-40-7 0 1 0 2-Propenal, 3-phenyl-, α-pentyl- III-12

6697. 79-06-1 1 0 0 2-Propenamide {acrylamide} H2C=CH-CONH2 XIII-1

6698. 79-39-0 1 0 0 2-Propenamide, 2-methyl- {methacrylamide} XIII-1

6699. 1202-41-1 0 1 0 2-Propenamide, 3-(3,4-dihydroxyphenyl)- XIII-1

6700. 59001-33-1 0 1 0 2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-[3-[[4-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]amino]butyl]amino]propyl]-

{dicaffeoylspermidine}

IX.A-22, XII-2, XIII-1

6701. 59576-98-6 0 1 0 2-Propenamide, 3-(4-hydroxyphenyl)- IX.A-22, XIII-1

6702. 621-79-4 1 0 0 2-Propenamide, 3-phenyl- C6H5-CH=CH-CONH2 XIII-1

6703. 61892-63-5 1 0 0 2-Propenamide, N-(1-oxopropyl)- XIII-1

6704. 29554-26-5 0 1 0 2-Propenamide, N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)- {caffeoylputrescine}


6705. 501-13-3 0 1 0 2-Propenamide, N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)-


6706. 34136-53-3 0 1 0 2-Propenamide, N-(4-aminobutyl)-3-(4-hydroxyphenyl)-


6707. 42369-86-8 0 1 0 2-Propenamide, N,N'-1,4-butanediylbis[3-(4-hydroxy-3-methoxyphenyl)-

X-2, IX.A-22, XIII-1

6708. 107-11-9 1 0 0 2-Propen-1-amine {allyl amine; acrylamine} H2C=CH-CH2-NH2 XII-2

6709. 2878-14-0 1 0 0 2-Propen-1-amine, 2-methyl- H2C=C(CH3)-CH2-NH2 XII-2

6710. 115-07-1 1 0 0 1-Propene H3C-CH=CH2 I.B-1

6711. 115-11-7 1 0 0 1-Propene, 2-methyl- {isobutylene} H3C-C(CH3)=CH2 I.B-1

6712. 26952-23-8 0 1 0 1-Propene, 1,2-dichloro- {Telone®} XVIII.B-3, XXI-3

6713. 542-75-6 0 1 0 1-Propene, 1,3-dichloro- {1,3-D} XVIII.B-3, XXI-3

246


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Selected structures

Chapter

Table

6714. 2157-98-4 0 1 0 1-Propene, 1-methyl-3-(methylamino)-3-oxo-, dimethyl phosphate {Monocrotophos®}

H3C-NH-CO-CH=C(CH3)-P=O

OCH3

OCH3

V-3, XXI-3

6715. 557-31-3 1 1 1 1-Propene, 3-ethoxy- {allyl ethyl ether} X-2

6716. 10152-76-8 1 0 0 1-Propene, 3-(methylthio)- XVIII.A-1

6717. 27817-67-0 1 0 0 1-Propene, 3-(propylthio)- XVIII.A-1

6718. 592-88-1 1 0 0 1-Propene, 3,3'-thiobis- XVIII.A-1

6719. 107-13-1 1 0 0 2-Propenenitrile {acrylonitrile} H2C=CH-CN XI-2

6720. 126-98-7 1 0 0 2-Propenenitrile, 2-methyl- {methacrylonitrile} H2C=C(CH3)-CN XI-2

6721. 4360-47-8 1 0 0 2-Propenenitrile, 3-phenyl- {cinnamonitrile} XI-2

6722. 54356-27-3 1 0 0 2-Propenenitrile, 3-(3-pyridinyl)-, (E)- XI-2, XVII.B-2

6723. 54356-28-4 1 0 0 2-Propenenitrile, 3-(3-pyridinyl)-, (Z)- XI-2, XVII.B-2

6724. 870-23-5 1 0 0 2-Propene-1-thiol XVIII.A-1

6725. 499-12-7 1 1 1 1-Propene-1,2,3-tricarboxylic acid {aconitic acid} IV.A-3

6726. 79-10-7 1 0 0 2-Propenoic acid {acrylic acid} H2C=CH-COOH IV.A-3

6727. 138-08-9 0 1 0 2-Propenoic acid, 2-(phosphonooxy)- IV.A-3

6728. 79-41-4 1 0 0 2-Propenoic acid, 2-methyl- {methacrylic acid} IV.A-3

6729. 80-62-6 0 1 0 2-Propenoic acid, 2-methyl-, methyl ester V.A-3

6730. 31082-90-3 1 0 0 2-Propenoic acid, 3-(2,3-dihydroxyphenyl)- IV.A-3, IX.A-22

6731. 331-39-5 1 1 1 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- {caffeic acid}

IV.A-3, IX.A-22, XXI-3

COOHHO

HO

6732. 501-16-6 1 1 1 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)- {trans-caffeic acid}

IV.A-3, IX.A-22

6733. 4361-87-9 1 1 1 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (Z)- {cis-caffeic acid}

IV.A-3, IX.A-22

6734. 58994-15-3 0 1 0 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, monoamide with N-(3-aminopropyl)-1,4-butanediamine {caffeoylspermidine}

IX.A-22, XIII-1

6735. 2316-26-9 0 1 0 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)- IV.A-3, X-2

6736. 17093-82-2 0 1 0 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]- {1-O-caffeoylglucose}

IV.A-3, IX.A-22

COOH

Glucose-O

HO

6737. 14364-12-6 0 1 0 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]- {1-O-feruloylglucose}

II.A-5, IV.A-3, X-2

COOH

Glucose-O

H3CO

6738. 14364-05-7 0 1 0 2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)phenyl]-

II.A-5, IV.A-3

247


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Selected structures

Chapter

Table

6739. 7362-37-0 1 1 1 2-Propenoic acid, 3-(3,5-dimethoxy-4-hydroxyphenyl)-, (E)- {trans-sinapic acid}

IV.A-3, IX.A-22, X-2

COOH

HO

H3CO

OCH3

6740. 7361-90-2 1 1 1 2-Propenoic acid, 3-(3,5-dimethoxy-4-hydroxyphenyl)-, (Z)- {cis-sinapic acid}

IV.A-3, IX.A-22, X-2

6741. 537-73-5 1 0 0 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)- IV.A-3, IX.A-22, X-2

6742. 25522-33-2 1 0 0 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (E)-

IV.A-3, IX.A-22, X-2

6743. 0 1 0 2-Propenoic acid, 3-(4,5-dihydroxy-3-methoxyphenyl)- {5-hydroxyferulic acid}

IV.A-3, IX.A-22, X-2

6744. 537-98-4 1 1 1 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- {trans-ferulic acid}

IV.A-3, X-2, IX.A-22, XXI-3

COOH

HO

H3CO

6745. 1014-83-1 1 1 1 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (Z)- {cis-ferulic acid}

IV.A-3, IX.A-22, X-2, XXI-3

6746. 2309-07-1 1 0 0 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester {ferulic acid, methyl ester}

V-3, IX.A-22, X-2

6747. 25429-38-3 1 0 0 2-Propenoic acid, 3-(hydroxyphenyl)- IV.A-3, IX.A-22

6748. 539-47-9 1 0 0 2-Propenoic acid, 3-(2-furanyl)- IV.A-3, X-2

6749. 583-17-5

614-60-8

1 0 0 2-Propenoic acid, 3-(2-hydroxyphenyl)- {o-coumaric acid}

IV.A-3, IX.A-22

6750. 588-30-7 0 1 0 2-Propenoic acid, 3-(3-hydroxyphenyl)- IV.A-3, IX.A-22

6751. 14755-02-3 0 1 0 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)- IV.A-3, IX.A-22

6752. 7400-08-0 1 1 1 2-Propenoic acid, 3-(4-hydroxyphenyl)- {coumaric acid}

IV.A-3, IX.A-22, XXI-3

6753. 501-98-4 1 1 1 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)- {trans-coumaric acid}

IV.A-3, IX.A-22

6754. 4501-31-9 1 1 1 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)- {cis-coumaric acid}

IV.A-3, IX.A-22

6755. 14779-25-0 1 0 0 2-Propenoic acid, 3-(5-methyl-2-furanyl)- IV.A-3, X-2

6756. 17570-26-2 1 1 1 2-Propenoic acid, 3-(3-methoxyphenyl)-, (E)- IV.A-3, X-2

6757. 621-82-9 1 1 1 2-Propenoic acid, 3-phenyl- {cinnamic acid} C6H5-CH=CH-COOH IV.A-3

6758. 140-10-3 1 1 1 2-Propenoic acid, 3-phenyl-, (E)- {trans-cinnamic acid}

IV.A-3

6759. 102-94-3 1 1 1 2-Propenoic acid, 3-phenyl-, (Z)- {cis-cinnamic acid}

IV.A-3

6760. 47018-25-7 1 0 0 2-Propenoic acid, 3-phenyl-, 2-phenylethenyl ester V.A-3

6761. 122-69-0 1 1 1 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester {cinnamyl cinnamate}

V.A-3

6762. 103-36-6 1 1 1 2-Propenoic acid, 3-phenyl-, ethyl ester {ethyl cinnamate}

V.A-3

6763. 103-26-4 1 1 1 2-Propenoic acid, 3-phenyl-, methyl ester {methyl cinnamate}

C6H5-CH=CH-COO-CH3 V.A-3

6764. 7779-65-9 1 1 1 2-Propenoic acid, 3-phenyl-, 3-methylbutyl ester V.A-3

248


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Chapter

Table

6765. 122-67-8 0 1 0 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester V.A-3

6766. 103-53-7 0 1 0 2-Propenoic acid, 3-phenyl-, phenylethyl ester; V.A-3

6767. 103-41-3 1 1 1 2-Propenoic acid, 3-phenyl-, phenylmethyl ester {benzyl cinnamate}

V.A-3

6768. 122-68-9 0 1 0 2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester {3-phenylpropyl cinnamate}

V.A-3

6769. 96-33-3 1 1 1 2-Propenoic acid, methyl ester H2C=CH-COO-CH3 V.A-3

6770. 90-50-6 0 1 0 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)- IV.A-3

6771. 107-18-6 1 1 1 2-Propen-1-ol {allyl alcohol} H2C=CH-CH2OH II.A-5, XXI-3

6772. 104-54-1 1 1 1 2-Propen-1-ol, 3-phenyl- {cinnamyl alcohol} II.A-5

6773. 4407-36-7 0 1 0 2-Propen-1-ol, 3-phenyl-, (E)- II.A-5

6774. 21040-45-9 0 1 0 2-Propen-1-ol, 3-phenyl-, acetate, (E)- V.A-3

6775. 2983-65-5 1 0 0 2-Propen-1-one, 1-(4-hydroxy-3-methoxyphenyl)- III-13, IX.A-22, X-2

6776. 94-41-7 1 0 0 2-Propen-1-one, 1,3-diphenyl- {chalcone} III-13

6777. 145917-24-4 0 1 0 2-Propen-1-one, 1,3-di-3-pyridinyl-, (E)- III-13, XVII.B-2

6778. 10152-76-8 1 0 0 1-Propenylmethyl sulfide H3C-S-CH2-CH=CH2 XVIII.A-1

6779. 1 0 0 Propoxyl radical OC3H5 XXVII-1

6780. 74-99-7 1 0 0 1-Propyne H3C-C≡CH I.B-1

6781. 0 1 0 Protease XXII-2

6782. 0 1 0 Protease, serine XXII-2

6783. 0 1 0 Protease, sulfhydryl XXII-2

6784. 144419-45-4 0 1 0 Protein (Arabidopsis thaliana clone G9.1 gene A9 11.6-kilodalton reduced)

XXII-2

6785. 132966-19-9 0 1 0 Protein (tobacco 27.4-kilodalton RNA-binding precursor reduced)

XXII-2

6786. 132966-16-6 0 1 0 Protein (tobacco 27.4-kilodalton RNA-binding) XXII-2

6787. 137801-72-0 0 1 0 Protein (tobacco chloroplast clone pTB24 gene psbK)

XXII-2

6788. 139874-83-2 0 1 0 Protein (tobacco clone .lambda.18C gene RB7 reduced)

XXII-2

6789. 139874-82-1 0 1 0 Protein (tobacco clone .lambda.5A gene RB7 reduced)

XXII-2

6790. 162572-20-5 0 1 0 Protein (tobacco clone lambda T-FLO 4 gene NFL2) XXII-2

6791. 147445-75-8 0 1 0 Protein (tobacco clone pMG15 extensin-like precursor reduced)

XXII-2

6792. 146591-93-7 0 1 0 Protein (tobacco clone PRP3g12 gene PRP3 pistil-specific proline-rich precursor)

XXII-2

6793. 162572-19-2 0 1 0 Protein (tobacco clone pTGF220 gene NFL1) XXII-2

6794. 145895-79-0 0 1 0 Protein (tobacco flower-associated reduced) XXII-2

6795. 155077-18-2 0 1 0 Protein (tobacco gene MST1 hydrogen ion-monosaccharide-cotransporting reduced)

XXII-2

6796. 160936-45-8 0 1 0 Protein (tobacco leaf curl virus coat) XXII-2

6797. 155663-14-2 0 1 0 Protein CPB 20 (tobacco clone cpb20-44 antifungal reduced)

XXII-2

6798. 155663-12-0 0 1 0 Protein CPB 20 (tobacco clone cpb20-52 antifungal reduced)

XXII-2

249


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Selected structures

Chapter

Table

6799. 155663-10-8 0 1 0 Protein CPB 20, prepro- (tobacco clone cpb20-52 antifungal reduced)

XXII-2

6800. 155663-13-1 0 1 0 Protein CPB 20, pro- (tobacco clone cpb20-44 antifungal reduced)

XXII-2

6801. 155663-11-9 0 1 0 Protein CPB 20, pro- (tobacco clone cpb20-52 antifungal reduced)

XXII-2

6802. 144997-83-1 0 1 0 Protein D 2 (Nicotiana sylvestris clone yaDC12/yaDC17 gene psaDa precursor)

XXII-2

6803. 144997-84-2 0 1 0 Protein D 2 (Nicotiana sylvestris clone yaDC12/yaDC17 gene psaDa)

XXII-2

6804. 146150-25-6 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana plumbaginifolia clone NeIF-4A2 isoform reduced)

XXII-2


XXII-2

6806. 162572-22-7 0 1 0 Protein formation initiation factor eIF 4A (Nicotiana tabacum clone NeIF-4A9)

XXII-2


XXII-2


XXII-2


XXII-2


XXII-2


XXII-2


XXII-2

6813. 143514-66-3 0 1 0 Protein formation initiation factor eIF 5A (Nicotiana plumbaginifolia clone NeIF-5A1 isoform C-terminal fragment reduced)

XXII-2


XXII-2

6815. 143514-68-5 0 1 0 Protein formation initiation factor eIF 5A (Nicotiana tabacum samsun clone NeIF-5A3 isoform reduced)

XXII-2

6816. 152745-97-6 0 1 0 Protein L 17 (tobacco clone TSC81 ribosome reduced)

XXII-2

6817. 142978-88-9 0 1 0 Protein L 27 (tobacco chloroplast clone L27-1 ribosome precursor reduced)

XXII-2

6818. 142978-89-0 0 1 0 Protein L 27 (tobacco chloroplast clone L27-1 ribosome reduced)

XXII-2

6819. 160082-04-2 0 1 0 Protein LTP (tobacco) XXII-2

6820. 143513-70-6 0 1 0 Protein OEE 2 (tobacco strain NK326 precursor reduced)

XXII-2

6821. 9001-92-7 0 1 0 Proteinase XXII-2

6822. 37205-61-1 0 1 0 Proteinase inhibitor XXII-2

6823. 145090-32-0 0 1 0 Proteinase inhibitor, PI-1 XXII-2

6824. 150474-41-2 0 1 0 Proteinase inhibitor, prepro-TIMPa (Nicotiana tabacum samsun reduced)

XXII-2

250


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Selected structures

Chapter

Table

6825. 150474-40-1 0 1 0 Proteinase inhibitor, prepro-TIMPb (Nicotiana tabacum samsun reduced)

XXII-2

6826. 150474-44-5 0 1 0 Proteinase inhibitor, pro-TIMPa (Nicotiana tabacum samsun reduced)

XXII-2

6827. 150474-42-3 0 1 0 Proteinase inhibitor, pro-TIMPb (Nicotiana tabacum samsun reduced)

XXII-2

6828. 150474-45-6 0 1 0 Proteinase inhibitor, TIMPa (Nicotiana tabacum samsun reduced)

XXII-2

6829. 150474-43-4 0 1 0 Proteinase inhibitor, TIMPb (Nicotiana tabacum samsun reduced)

XXII-2

6830. 551-68-8 0 1 0 D-Psicose HOCH2-CO-(CHOH)3-CH2OH III-13, II.A-5

6831. 73-24-5 0 1 0 1H-Purin-6-amine {adenine}

NN

N NH

NH2

XVII.E-8

6832. 525-79-1 0 1 0 1H-Purin-6-amine, N-(2-furanylmethyl)- XVII.E-8

6833. 2365-40-4 0 1 0 1H-Purin-6-amine, N-(3-methyl-2-butenyl)- XVII.E-8

6834. 1214-39-7 0 1 0 1H-Purin-6-amine, N-(phenylmethyl)- XVII.E-8

6835. 56159-42-3 0 1 0 7H-Purin-6-amine, 7-β-D-glucopyranosyl-N-(phenylmethyl)-

II.A-5, XVII.E-8

6836. 38477-23-5 0 1 0 7H-Purin-6-amine, 7-D-glucofuranosyl-N-(phenylmethyl)-

II.A-5, XVII.E-8

6837. 54538-20-4 0 1 0 7H-Purin-6-amine, 7-D-glucosyl-N-(phenylmethyl)- II.A-5, XVII.E-8

6838. 20-73-0 0 1 0 1H-Purine NH

N

N

N

XVII.E-6

6839. 69-89-6 0 1 0 1H-Purine-2,6-dione, 3,7-dihydro- XIV-1, XVII.E-8

6840. 83-67-0 1 1 1 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- {theobromine} O

O

N

CH3

CH3

N

N

23

4

56

7 NH

XIV-1, XVII.E-8

6841. 33073-01-7 1 0 0 1H-Purine-2,6-dione, 3,9-dihydro-1,9-dimethyl- XIV-1, XVII.E-8

6842. 58-08-2 1 1 1 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl- {caffeine} O

O

N

CH3

CH3

N

N

23

4

56

7 N

CH3

XIV-1, XVII.E-8

6843. 69-89-6 0 1 0 6H-Purine-2,6-dione, 1,7-dihydro- {xanthine} O

O

HN

NH

N

NH

XIV-1, XVII.E-8

6844. 1 0 0 6H-Purine-2,6-dione, 1,7-dihydro-, C3-alkyl- XIV-1, XVII.E-8

251


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Selected structures

Chapter

Table

6845. 73-40-5 0 1 0 6H-Purin-6-one, 2-amino-1,7-dihydro- {guanine} XII-2, XVII.C-1, XVII.E-8

H2N N

N

NH

HN

O

6846. 68-94-0 0 1 0 6H-Purin-6-one, 1,7-dihydro- {hypoxanthine} XII-2, XVII.C-1, XVII.E-8 O

NH

NHN

6847. 25512-65-6 1 1 1 2H-Pyran, dihydro- X-2

6848. 110-87-2 1 0 0 2H-Pyran, 3,4-dihydro- O1

2

3

4

5

6

X-2

6849. 10141-72-7 0 1 0 2H-Pyran, 2-methyltetrahydro- X-2

6850. 142-68-7 1 1 1 2H-Pyran, tetrahydro- O1

2

3

4

5

6

X-2

6851. 16409-43-1 0 1 0 Pyran, tetrahydro-4-methyl-2-(2-methylpropen-1-yl)- {rose oxide}

X-2

6852. 100-73-2 1 1 1 2H-Pyran-2-carboxaldehyde, 3,4-dihydro- {acrolein dimer}

III-12, X-2

6853. 70898-35-0 1 0 0 2H-Pyran-2-carboxaldehyde, 3,4-dihydro-6-hydroxy-3-oxo-

II.A-5, III-12, III-13, X-2

6854. 112468-46-9 1 0 0 2H-Pyran-2,5(6H)-dione III-13, VI-3

6855. 1 0 0 2H-Pyran-4-methanol, 3,4-dihydro-2-hydroxy- O1

35

6OH

CH2OH

4

2

II.A-5, X-2

6856. 61892-96-4 1 0 0 2H-Pyran-6-methanol, 3,4-dihydro-3-hydroxy- II.A-5, X-2

6857. 19752-84-2 1 0 0 2H-Pyran-3-ol, tetrahydro- II.A-5, X-2

6858. 121198-47-8 1 0 0 Pyranone, dimethyl- III-13, X-2

6859. 504-31-4 1 0 0 2H-Pyran-2-one O O

2

3

4

5

6

VI-3

6860. 1 0 0 2H-Pyran-2-one, 6-chloro- VI-3, XVIII.B-3

6861. 0 1 0 2H-Pyran-2-one, 5,6-dihydro- VI-3

6862. 1 0 0 2H-Pyran-2-one, 5,6-dihydro-4,5-dimethyl- VI-3

6863. 1 0 0 2H-Pyran-2-one, 4,5-dihydro-3-hydroxy- VI-3

6864. 55100-07-7 0 1 0 2H-Pyran-2-one, 5,6-dihydro-4-hydroxy- II.A-5, VI-3

6865. 54657-94-2 1 0 0 2H-Pyran-2-one, 3,4-dihydro-5-methyl- VI-3

6866. 2381-87-5 1 1 1 2H-Pyran-2-one, 5,6-dihydro-4-methyl- VI-3

6867. 21722-33-8 1 1 1 2H-Pyran-2-one, 5,6-dihydro-4-(1-methylethyl)- VI-3

6868. 6400-69-4 1 0 0 2H-Pyran-2-one, 5,6-dihydro-6-propyl- VI-3

252


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Selected structures

Chapter

Table

6869. 1 0 0 2H-Pyran-2-one, hydroxyethyl- II.A-5, VI-3

6870. 1 0 0 2H-Pyran-2-one, hydroxy-methyl- II.A-5,VI-3

6871. 1 1 1 2H-Pyran-2-one, 3-hydroxy- II.A-5,VI-3

6872. 73692-69-0 0 1 0 2H-Pyran-2-one, 3-hydroxy-6-methyl- II.A-5, VI-3

6873. 1 1 1 2H-Pyran-2-one, 4-(1-methylethyl)- VI-3

6874. 27593-23-3 0 1 0 2H-Pyran-2-one, 6-pentyl- {6-amyl-α-pyrone} VI-3

6875. 542-28-9 1 1 1 2H-Pyran-2-one, tetrahydro-

{δ-valerolactone}

VI-3

6876. 1 0 0 2H-Pyran-2-one, tetrahydro-3,4-epoxy-5-hydroxy- II.A-5, VI-3, X-2

6877. 5058-01-5 1 0 0 2H-Pyran-2-one, tetrahydro-3-hydroxy- II.A-5, VI-3

6878. 1 0 0 2H-Pyran-2-one, tetrahydro-methoxy- VI-3, X-2

6879. 1 0 0 2H-Pyran-2-one, tetrahydro-methyl- VI-3

6880. 32821-70-8 0 1 0 2H-Pyran-2-one, tetrahydro-3-(1-methylethyl)- VI-3

6881. 78094-66-3 1 0 0 2H-Pyran-2-one, tetrahydro-4,5-dimethyl-, cis-(±)- VI-3

6882. 1 1 1 2H-Pyran-2-one, tetrahydro-4,6-dimethyl- VI-3

6883. 710-04-3 0 1 0 2H-Pyran-2-one, tetrahydro-6-hexyl-

{δ-undecalactone}

VI-3


6885. 503-48-0 0 1 0 2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl- II.A-5, VI-3

6886. 1121-84-2 1 1 1 2H-Pyran-2-one, tetrahydro-4-methyl- VI-3

6887. 96168-15-9 1 0 0 2H-Pyran-2-one, tetrahydro-4-methyl-6-(3,7,11-trimethyldodecyl)-

VI-3

6888. 56947-55-8 1 1 1 2H-Pyran-2-one, tetrahydro-4-(1-methylethyl)- VI-3

6889. 21754-22-3 0 1 0 2H-Pyran-2-one, tetrahydro-4-(1-methylethyl)-, (±)- VI-3

6890. 10413-18-0

24405-16-1

0 1 0 2H-Pyran-2-one, tetrahydro-5,6-dimethyl- VI-3


6892. 3301-94-8 0 1 0 2H-Pyran-2-one, tetrahydro-6-butyl-

{δ-nonalactone}

VI-3

6893. 2610-95-9 0 1 0 2H-Pyran-2-one, tetrahydro-6,6-dimethyl- VI-3

6894. 713-95-1 0 1 0 2H-Pyran-2-one, tetrahydro-6-heptyl-

{δ-dodecalactone}

VI-3

6895. 90-80-2 1 0 0 2H-Pyran-2-one, tetrahydro-6-hydroxymethyl, 3,4,5-

trihydroxy- gluconic acid, δ-lactone}

II.A-5, VI-3

6896. 823-22-3 1 1 1 2H-Pyran-2-one, tetrahydro-6-methyl-

{δ-hexalactone; δ -caprolactone}

VI-3

6897. 21722-34-9 0 1 0 2H-Pyran-2-one, tetrahydro-6-methyl-3-(1-methylethyl)- {2 isomers indicated}

VI-3

6898. 0 1 0 2H-Pyran-2-one, tetrahydro-6-methyl-4-(1-methylethyl)-

VI-3

6899. 2721-22-4 0 1 0 2H-Pyran-2-one, tetrahydro-6-nonyl- {tetradecalactone}

VI-3

6900. 705-86-2 0 1 0 2H-Pyran-2-one, tetrahydro-6-pentyl-

{δ-decalactone}

VI-3

253


CAS No.

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Selected structures

Chapter

Table

6901. 698-76-0 0 1 0 2H-Pyran-2-one, tetrahydro-6-propyl-

{δ-octalactone}

VI-3

6902. 28743-04-6 1 0 0 2H-Pyran-3(4H)-one O

O

2

4

5

6

III-13, X-2

6903. 1 0 0 2H-Pyran-3(4H)-one, dihydro- III-13, X-2

6904. 121197-11-3 1 0 0 2H-Pyran-3(4H)-one, dihydro-4-(hydroxymethyl)- II.A-5, III-13, X-2

6905. 1 0 0 2H-Pyran-3(4H)-one, dihydro-6-methoxy- III-13, X-2

6906. 43152-89-2 1 0 0 2H-Pyran-3(4H)-one, dihydro-6-methyl- III-13, X-2

6907. 98166-23-5 1 0 0 2H-Pyran-3(6H)-one O

O

2

4

5

6

III-13, X-2

6908. 108-97-4 1 0 0 4H-Pyran-4-one O

O

2

345

6

III-13, X-2

6909. 84302-42-1 1 0 0 4H-Pyran-4-one, 2,3-dihydro- III-13, X-2

6910. 28564-83-2 1 1 1 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-

O1 2

4

O

35

6

OHHO

H3C

II.A-5, III-13, X-2

6911. 6380-97-8 1 1 1 4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-2-(hydroxymethyl)-

II.A-5, III-13, X-2

6912. 38877-21-3 1 0 0 4H-Pyran-4-one, 2,3-dihydro-5-hydroxy-6-methyl- II.A-5, III-13, X-2

6913. 131524-09-9 1 0 0 4H-Pyran-4-one, 2,6-diethyl-3-hydroxy- II.A-5, III-13, X-2

6914. 1004-36-0 1 0 0 4H-Pyran-4-one, 2,6-dimethyl- III-13, X-2

6915. 4940-17-4 1 0 0 4H-Pyran-4-one, 2-butyl-3-hydroxy- II.A-5, III-13, X-2

6916. 131524-16-8 1 0 0 4H-Pyran-4-one, 2-butyl-3-hydroxy-6-methyl- II.A-5, III-13, X-2

6917. 4940-11-8 1 1 1 4H-Pyran-4-one, 2-ethyl-3-hydroxy- {ethylmaltol} II.A-5, III-13, X-2

6918. 131524-08-8 1 0 0 4H-Pyran-4-one, 2-ethyl-3-hydroxy-5,6-dimethyl- II.A-5, III-13, X-2

6919. 131524-04-4 1 0 0 4H-Pyran-4-one, 2-ethyl-3-hydroxy-5-methyl- II.A-5, III-13, X-2


6921. 61892-88-4 1 0 0 4H-Pyran-4-one, 2-hydroxy-3-methyl- II.A-5, III-13, X-2

6922. 61892-87-3 1 0 0 4H-Pyran-4-one, 2-hydroxy-5-methyl- II.A-5, III-13, X-2

6923. 1 0 0 4H-Pyran-4-one, 2-hydroxymethyl-3,5,6-trihydroxy- II.A-5, III-13, X-2

6924. 1 0 0 4H-Pyran-4-one, 2-methyl-3,5,6-trihydroxy- II.A-5, III-13, X-2

6925. 488-18-6 1 0 0 4H-Pyran-4-one, 3,5-dihydroxy- II.A-5, III-13, X-2

6926. 1 0 0 4H-Pyran-4-one, 2,5-dihydroxy-3-methyl- II.A-5, III-13, X-2

6927. 61892-86-2 1 0 0 4H-Pyran-4-one, 3,5-dihydroxy-2,6-dimethyl- II.A-5, III-13, X-2

6928. 1073-96-7 1 1 1 4H-Pyran-4-one, 3,5-dihydroxy-2-methyl- {5-hydroxymaltol}

II.A-5, III-13, X-2

6929. 1 0 0 4H-Pyran-4-one, 3,5-dihydroxymethyl-2,6-dimethyl- II.A-5, III-13, X-2

6930. 496-63-9 1 0 0 4H-Pyran-4-one, 3-hydroxy- II.A-5, III-13, X-2

6931. 40311-00-0 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(1-methylethyl)- II.A-5, III-13, X-2

254


CAS No.

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T

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Selected structures

Chapter

Table

6932. 4940-18-5 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(1-methylpropyl)- II.A-5, III-13, X-2

6933. 131524-11-3 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(2-methylbutyl)- II.A-5, III-13, X-2

6934. 76015-10-6 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(2-methylpropyl)- II.A-5, III-13, X-2

6935. 131524-12-4 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-(3-methylbutyl)- II.A-5, III-13, X-2

6936. 131524-05-5 1 0 0 4H-Pyran-4-one, 3-hydroxy-2,5,6-trimethyl- II.A-5, III-13, X-2

6937. 131524-02-2 1 0 0 4H-Pyran-4-one, 3-hydroxy-2,5-dimethyl- II.A-5, III-13, X-2

6938. 2298-99-9 1 0 0 4H-Pyran-4-one, 3-hydroxy-2,6-dimethyl- II.A-5, III-13, X-2

6939. 1 0 0 4H-Pyran-4-one, 3-hydroxy-methyl- II.A-5, III-13, X-2

6940. 118-71-8 1 1 1 4H-Pyran-4-one, 3-hydroxy-2-methyl- {maltol} II.A-5, III-13, X-2

6941. 131524-10-2 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-methyl-6-propyl- II.A-5, III-13, X-2

6942. 131524-13-5 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-pentyl- II.A-5, III-13, X-2

6943. 4940-16-3 1 0 0 4H-Pyran-4-one, 3-hydroxy-2-propyl- II.A-5, III-13, X-2

6944. 131524-07-7 1 0 0 4H-Pyran-4-one, 3-hydroxy-6-methyl-2-(1-methylethyl)-

II.A-5, III-13, X-2

6945. 131524-14-6 1 0 0 4H-Pyran-4-one, 3-hydroxy-6-methyl-2-(1-methylpropyl)-

II.A-5, III-13, X-2

6946. 131524-15-7 1 0 0 4H-Pyran-4-one, 3-hydroxy-6-methyl-2-(2-methylpropyl)-

II.A-5, III-13, X-2

6947. 40861-87-8 1 0 0 4H-Pyran-4-one, 3-hydroxy-6-methyl-2-propyl- II.A-5, III-13, X-2

6948. 50671-50-6 1 0 0 4H-Pyran-4-one, 3-methyl- III-13, X-2

6949. 644-46-2 1 0 0 4H-Pyran-4-one, 5-hydroxy-2-methyl- = 4H-Pyran-4-one, 3-hydroxy-6-methyl- {allomaltol}

II.A-5, III-13, X-2


6951. 131524-17-9 1 0 0 4H-Pyran-4-one, 6-ethyl-3-hydroxy-2-propyl- II.A-5, III-13, X-2

6952. 1 0 0 4H-Pyran-4-one-2-carboxylic acid, 5-hydroxy- II.A-5, III-13, IV.A-5, X-2

6953. 1 0 0 4H-Pyran-4-one-2-carboxylic acid, 5-hydroxy-, (1-methylethyl) ester

II.A-5, III-13, V-3, X-2

HO

O

O

COO-CH(CH3)2

6954. 290-37-9 1 1 1 Pyrazine N

N

2

35

6

XVII.B-2

6955. 1 1 1 Pyrazine, alkyl- XVII.B-2

6956. 66288-42-4 1 1 1 Pyrazine, butenyl- XVII.B-2

6957. 78210-56-7 1 1 1 Pyrazine, 3-butenyl- = Pyrazine, 2-butenyl- XVII.B-2

6958. 29460-91-1 1 0 0 Pyrazine, butyl- XVII.B-2

6959. 32184-51-3 1 1 1 Pyrazine, 2-cyclopentyl-6-methyl- XVII.B-2

6960. 15707-24-1 1 1 1 Pyrazine, 2,3-diethyl- XVII.B-2



6963. 18138-05-1 1 0 0 Pyrazine, 3,5-diethyl-2-methyl- = Pyrazine, 2,6-diethyl-3-methyl-

XVII.B-2

6964. 25704-73-8 1 1 1 Pyrazine, dimethyl- XVII.B-2

6965. 5910-89-4 1 1 1 Pyrazine, 2,3-dimethyl- XVII.B-2

255


CAS No.

S

T

S

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Selected structures

Chapter

Table

6966. 1 0 0 Pyrazine, 2,3-dimethyl-6-propyl- XVII.B-2


6968. 0 1 0 Pyrazine, 2,5-dimethyl-3-(1-methylethyl)- = Pyrazine, 3,6-dimethyl-2(1-methylethyl)-

XVII.B-2

6969. 1 0 0 Pyrazine, 2,5-dimethyl-6-propyl- XVII.B-2


6971. 71607-73-3 1 1 1 Pyrazine, dimethyethyl- XVII.B-2

6972. 4177-16-6 1 1 1 Pyrazine, ethenyl- XVII.B-2

6973. 13925-08-1 1 1 1 Pyrazine, 2-ethenyl-5-methyl- XVII.B-2

6974. 13925-09-2 1 1 1 Pyrazine, 2-ethenyl-6-methyl- XVII.B-2

6975. 13925-00-3 1 1 1 Pyrazine, ethyl- = Pyrazine, 2-ethyl- XVII.B-2

6976. 33504-66-4 1 0 0 Pyrazine, ethylmethyl- XVII.B-2

6977. 0 1 0 Pyrazine, 2-ethyl-5-ethylene- XVII.B-2

6978. 25680-58-4 0 1 0 Pyrazine, 2-ethyl-3-methoxy- X-2, XVII.B-2

6979. 0 1 0 Pyrazine, 2-ethyl-5-methoxy- X-2, XVII.B-2

6980. 0 1 0 Pyrazine, 2-ethyl-6-methoxy- X-2, XVII.B-2

6981. 15707-23-0 1 1 1 Pyrazine, 2-ethyl-3-methyl- XVII.B-2

6982. 13360-64-0 1 1 1 Pyrazine, 2-ethyl-5-methyl- XVII.B-2

6983. 13925-03-6 1 1 1 Pyrazine, 2-ethyl-6-methyl- = Pyrazine, 6-ethyl-2-methyl-

XVII.B-2

6984. 0 1 0 Pyrazine, 2-ethyl-3,5,6-trimethyl- XVII.B-2

6985. 13360-65-1 1 1 1 Pyrazine, 2-ethyl-3,6-dimethyl- = Pyrazine, 6-ethyl-2,5-dimethyl-

XVII.B-2


XVII.B-2


XVII.B-2

6988. 32736-95-1 1 1 1 Pyrazine, 2-furanyl- X-2, XVII.B-2

6989. 29460-98-8 1 1 1 Pyrazine, 3-furanyl- X-2, XVII.B-2

6990. 36238-34-3 1 1 1 Pyrazine, 5-(2-furanyl)-2,3-dimethyl- = Pyrazine, 2-(2-furanyl)-5,6-dimethyl-

X-2, XVII.B-2

6991. 27610-38-4 1 1 1 Pyrazine, 2-(2-furanyl)-5-methyl- X-2, XVII.B-2



6994. 3149-28-8 0 1 0 Pyrazine, methoxy- X-2, XVII.B-2

6995. 2847-30-5 0 1 0 Pyrazine, 3-methoxy-2-methyl- X-2, XVII.B-2



6998. 109-08-0 1 1 1 Pyrazine, methyl- = Pyrazine, 2-methyl- XVII.B-2

6999. 38713-41-6 1 1 1 Pyrazine, (1-methylethenyl)- XVII.B-2

7000. 29460-90-0 0 1 0 Pyrazine, (1-methylethyl)- XVII.B-2

7001. 34514-52-8 1 0 0 Pyrazine, methyl(1-methylethyl)- XVII.B-2

7002. 1 0 0 Pyrazine, 2-methyl-3-butyl- XVII.B-2

7003. 1 0 0 Pyrazine, 2-methyl-3-(2-methylbutyl)- XVII.B-2

256


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7004. 1 0 0 Pyrazine, 2-methyl-3-(3-methylbutyl)- XVII.B-2

7005. 0 1 0 Pyrazine, 2-methyl-3-(1-methylethyl)- XVII.B-2

7006. 13925-06-9 1 0 0 Pyrazine, 2-methyl-3-(2-methylpropyl)- XVII.B-2

7007. 1 0 0 Pyrazine, 2-methyl-5-(1-methylethyl)- XVII.B-2

7008. 58861-90-8 1 0 0 Pyrazine, 2-methyl-5-phenyl- XVII.B-2

7009. 55138-67-5 0 1 0 Pyrazine, 2-methyl-6-(1-propenyl)- XVII.B-2

7010. 36541-30-7 1 0 0 Pyrazine, methylpropyl- XVII.B-2

7011. 29461-03-8 1 0 0 Pyrazine, 2-methyl-5-propyl- XVII.B-2

7012. 1 0 0 Pyrazine, 2-methyl-6-propyl- XVII.B-2

7013. 6303-75-9 1 0 0 Pyrazine, pentyl- XVII.B-2

7014. 29460-97-7 1 1 1 Pyrazine, phenyl- XVII.B-2

7015. 18138-03-9 1 0 0 Pyrazine, propyl- XVII.B-2

7016. 1 0 0 Pyrazine, 2-(1-propenyl)- XVII.B-2

7017. 1124-11-4 1 1 1 Pyrazine, tetramethyl- XVII.B-2

7018. 14667-55-1 1 1 1 Pyrazine, trimethyl- XVII.B-2

7019. 61892-91-9 1 0 0 Pyrazinebutanol, 3-methyl- II.A-5, XVII.B-2

7020. 5780-66-5 1 0 0 Pyrazinecarboxaldehyde III-12, XVII.B-2

7021. 0 1 0 Pyrazinecarboxaldehyde, 5-(2-furanyl)-3-methyl- III-12, X-2, XVII.B-2

7022. 6705-31-3 1 1 1 Pyrazineethanol II.A-5, XVII.B-2

7023. 61892-92-0 1 1 1 Pyrazineethanol, 3-methyl- II.A-5, XVII.B-2

7024. 61892-93-1 1 1 1 Pyrazineethanol, 6-methyl- II.A-5, XVII.B-2

7025. 6705-33-5 1 0 0 Pyrazinemethanol II.A-5, XVII.B-2

7026. 61892-95-3 1 1 1 Pyrazinemethanol, 5-methyl- = Pyrazinemethanol, 3-methyl-

II.A-5, XVII.B-2

7027. 0 1 0 Pyrazinepentanol II.A-5, XVII.B-2

7028. 1 1 1 Pyrazinol, 3-methyl- II.A-5, XVII.B-2

7029. 78210-68-1 1 0 0 2(1H)-Pyrazinone, 1-methyl-3-(1-methylethyl)- XVII.B-2

7030. 19838-07-4 1 0 0 2(1H)-Pyrazinone, 3-methyl- XVII.B-2



7033. 288-13-1 1 1 1 1H-Pyrazole NH

N

XVII.A-4

7034. 1 0 0 1H-Pyrazole, C2-alkyl- XVII.A-4

7035. 67771-72-6 1 0 0 1H-Pyrazole, dimethyl- XVII.A-4

7036. 2820-37-3 1 0 0 1H-Pyrazole, 3,4-dimethyl- XVII.A-4

7037. 67-51-6 1 0 0 1H-Pyrazole, 3,5-dimethyl- XVII.A-4

7038. 1131-16-4 1 0 0 1H-Pyrazole, 3,5-dimethyl-1-phenyl- XVII.A-4

7039. 66719-08-2 1 0 0 1H-Pyrazole, methyl- XVII.A-4

7040. 1453-58-3 1 0 0 1H-Pyrazole, 3-methyl- XVII.A-4

7041. 3347-62-4 0 1 0 1H-Pyrazole, 3-methyl-5-phenyl- XVII.A-4

7042. 1072-91-9 1 0 0 1H-Pyrazole, 1,3,5-trimethyl- XVII.A-4

257


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7043. 5519-42-6 1 0 0 1H-Pyrazole, 3,4,5-trimethyl- XVII.A-4

7044. 61892-79-3 1 0 0 1H,7H-Pyrazolo[1,2-a]pyrazole-1,7-dione, tetrahydro-

N

N

OO

XVII.E-8

7045. 33986-27-5 0 1 0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl-N-(3-methyl-2-butenyl)-

XII-2, XVII.E-8

7046. 33698-49-6 0 1 0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, 3-methyl-N-(3-methylbutyl)-

XII-2, XVII.E-8

7047. 34232-31-0 0 1 0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, N-(3-methyl-2-butenyl)-

XII-2, XVII.E-8

7048. 33986-28-6 0 1 0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine, N-(3-methylbutyl)-

XII-2, XVII.E-8

7049. 64990-23-4 1 0 0 Pyrenamine XII-2

7050. 64828-53-1 1 0 0 Pyrenamine, N-methyl- XII-2

7051. 1606-67-3 1 0 0 1-Pyreneamine XII-2

7052. 129-00-0 1 1 1 Pyrene {benzo[def]phenanthrene}

I.E-6

7053. 1 0 0 Pyrene, alkyl- I.E-6

7054. 35980-18-8 1 0 0 Pyrene, 1-butyl- I.E-6

7055. 55682-90-1 1 0 0 Pyrene, 1-decyl- I.E-6

7056. 28779-32-0 1 0 0 Pyrene, dihydro- I.E-6

7057. 30582-03-7 1 0 0 Pyrene, dimethyl- {at least three isomers in MSS} I.E-6

7058. 64401-21-4 1 0 0 Pyrene, 1,3-dimethyl- I.E-6

7059. 1 0 0 Pyrene, dimethyl-3,4-dimethylene- I.E-6

7060. 25732-74-5 1 0 0 Pyrene, 3,4-dimethylene- I.E-6

7061. 1 0 0 Pyrene, 3,4-dimethylenemethyl- I.E-6

7062. 1 0 0 Pyrene, 1,6-dinitro- XVI-1

7063. 1 0 0 Pyrene, 1,8-dinitro- XVI-1

7064. 1 0 0 Pyrene, ethyl- I.E-6

7065. 56142-12-2 1 0 0 Pyrene, 1-ethyl- I.E-6

7066. 71607-74-4 1 0 0 Pyrene, ethylmethyl- I.E-6

7067. 71607-75-5 1 0 0 Pyrene, hexamethyl- I.E-6

7068. 72692-89-8 1 0 0 Pyrene, 1-hexyl- I.E-6

7069. 27577-90-8 1 0 0 Pyrene, methyl- {several isomers in MSS} I.E-6

7070. 2381-21-7 1 0 0 Pyrene, 1-methyl- I.E-6

7071. 3442-78-2 1 0 0 Pyrene, 2-methyl- I.E-6

7072. 3353-12-6 1 0 0 Pyrene, 4-methyl- I.E-6

7073. 5522-43-0 1 0 0 Pyrene, 1-nitro- XVI-1

7074. 1 0 0 Pyrene, 4-nitro- XVI-1

7075. 71608-00-9 1 0 0 Pyrene, 1-octyl- I.E-6

258


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7076. 71607-76-6 1 0 0 Pyrene, pentamethyl-


I.E-6

7077. 56142-09-7 1 0 0 Pyrene, propyl- I.E-6

7078. 71630-71-2 1 0 0 Pyrene, 1-tetradecyl- I.E-6

7079. 66161-17-9 1 0 0 Pyrene, tetrahydro- I.E-6

7080. 60826-75-7 1 0 0 Pyrene, tetramethyl- {at least four isomers in MSS} I.E-6

7081. 41637-88-1 1 0 0 Pyrene, trimethyl- {at least three isomers in MSS} I.E-6

7082. 121-21-1

4466-14-2

25402-06-6

121-21-9

1171-63-0

121-29-9

121-20-0

0 1 0 Pyrethrins (natural)

V-3, XXI-3

O

O

O

O

7083. 123-33-1 1 1 1 3,6-Pyridazinedione, 1,2-dihydro- {maleic hydrazide; MH; MH-30®} O O

NH

NH

XVII.B-2, XVII.C-1, XXI-3

7084. 5716-15-4 0 1 0 3,6-Pyridazinedione, 1,2-dihydro-, diethanolamine salt

XVII.B-2, XVII.C-1

7085. 51542-52-0 0 1 0 3,6-Pyridazinedione, 1,2-dihydro-, potassium salt XVII.B-2, XVII.C-1

7086. 26445-05-6 1 0 0 Pyridinamine XII-2, XVII.B-2

7087. 71607-77-7 1 0 0 Pyridinamine, N-methyl- XII-2, XVII.B-2

7088. 504-29-0 1 1 1 2-Pyridinamine XII-2, XVII.B-2

7089. 1603-40-3 1 0 0 2-Pyridinamine, 3-methyl- XII-2, XVII.B-2

7090. 695-34-1 1 0 0 2-Pyridinamine, 4-methyl- {2-amino-4-picoline} XII-2, XVII.B-2



7093. 30315-34-5 1 0 0 2-Pyridinamine, 5-(1-methyl-2-pyrrolidinyl)-, (S)- XII-2, XVII.B-4

7094. 1202-34-2 1 0 0 2-Pyridinamine, N-2-pyridinyl- XII-2, XVII.B-6


7096. 61771-67-3 1 0 0 3-Pyridinamine, 6-methoxy-N-methyl- X-2, XII-2, XVII.B-2



7099. 18364-47-1 1 0 0 3-Pyridinamine, N-methyl- XII-2, XVII.B-2


7101. 110-86-1 1 1 1 Pyridine

N2

3

4

5

6

XVII.B-2

7102. 1 0 0 Pyridine, alkyl- XVII.B-2

7103. 1 0 0 Pyridine, C3-alkyl- XVII.B-2

7104. 1 0 0 Pyridine, (C3-alkylphenyl)- {2 isomers detected} XVII.B-2

7105. 1 0 0 Pyridine, butenyl- {3 isomers} XVII.B-2

7106. 27175-64-0 1 1 1 Pyridine, dimethyl- {lutidine} XVII.B-2

259


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7107. 29011-62-9 1 0 0 Pyridine, dimethylethenyl- XVII.B-2

7108. 0 1 0 Pyridine, dimethylethyl- {2 isomers detected} XVII.B-2

7109. 1 0 0 Pyridine, dimethyl-2-(1-methylethyl)- XVII.B-2

7110. 1 0 0 Pyridine, dimethylphenyl- XVII.B-2

7111. 56842-43-4 1 0 0 Pyridine, diphenyl- XVII.B-2

7112. 1337-81-1 1 0 0 Pyridine, ethenyl- XVII.B-2

7113. 25638-00-0 1 0 0 Pyridine, ethenylmethyl- XVII.B-2

7114. 1 0 0 Pyridine, ethenyltrimethyl- XVII.B-2

7115. 28631-77-8 1 0 0 Pyridine, ethyl- XVII.B-2

7116. 27987-10-6 1 1 1 Pyridine, ethylmethyl- {4 isomers} XVII.B-2

7117. 64849-96-3 1 0 0 Pyridine, ethylphenyl- XVII.B-2

7118. 1333-41-1 1 1 1 Pyridine, methyl- {picoline} XVII.B-2

7119. 64828-54-2 1 0 0 Pyridine, methylphenyl- XVII.B-2

7120. 64828-55-3 1 0 0 Pyridine, phenylpropyl- XVII.B-2

7121. 1 0 0 Pyridine, phenyltrimethyl- XVII.B-2

7122. 1 0 0 Pyridine, propenyl- XVII.B-2

7123. 1 0 0 Pyridine, propyl- XVII.B-2

7124. 1 0 0 Pyridine, tetramethyl- XVII.B-2

7125. 29611-84-5 1 0 0 Pyridine, trimethyl- {collidine} XVII.B-2

7126. 6972-40-3 1 0 0 Pyridine, 1-ethyl-1,2,3,6-tetrahydro- XVII.B-2

7127. 694-05-3 1 1 1 Pyridine, 1,2,3,6-tetrahydro- {∆3-piperidine}

NH

12

3

6

XVII.B-2

7128. 0 1 0 Pyridine, 1-methyl-6-(2-pyridinyl)-1,2,5,6-tetrahydro- XVII.B-6

7129. 1 0 0 Pyridine, 2-(C3-alkylphenyl)- {2 isomers detected} XVII.B-2

7130. 5058-19-5 1 0 0 Pyridine, 2-butyl- XVII.B-2

7131. 1929-82-4 0 1 0 Pyridine, 2-chloro-6-(trichloromethyl)- {Nitrapyrin®}

NCl CCl3

XVII.B-2, XVIII.B-3, XXI-3

7132. 100-69-6 1 0 0 Pyridine, 2-ethenyl- XVII.B-2

7133. 22382-94-1 1 0 0 Pyridine, 2-ethenyl-3-methyl- XVII.B-2


7135. 100-71-0 1 1 1 Pyridine, 2-ethyl- XVII.B-2

7136. 1123-96-2 1 0 0 Pyridine, 2-ethyl-3,5-dimethyl- = Pyridine, 2,4-dimethyl-6-ethyl-

XVII.B-2

7137. 1124-35-2 1 0 0 Pyridine, 2-ethyl-4,6-dimethyl- XVII.B-2

7138. 2150-18-7 1 0 0 Pyridine, 2-ethyl-4-methyl- XVII.B-2



7141. 1628-89-3 1 0 0 Pyridine, 2-methoxy- X-2, XVII.B-2

7142. 109-06-8 1 1 1 Pyridine, 2-methyl- {2-picoline} XVII.B-2

7143. 1 1 1 Pyridine, 2-methyl-3-(1-methyl-2-pyrrolidinyl)- {2-methylnicotine}

XVII.B-4

260


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7144. 1 0 0 Pyridine, 2-(2-methylbutyl)- XVII.B-2

7145. 1 0 0 Pyridine, 2-(3-methylbutyl)- XVII.B-2

7146. 1 0 0 Pyridine, 2-(1-methylethenyl)- XVII.B-2

7147. 1 0 0 Pyridine, 2-(1-methylethyl)- XVII.B-2

7148. 1 0 0 Pyridine, 2-methyl-3-(1-methylethyl)- XVII.B-2

7149. 78210-48-7 1 0 0 Pyridine, 2-methyl-3-(1-propenyl)- XVII.B-2

7150. 15032-21-0 1 0 0 Pyridine, 2-methyl-4-phenyl- XVII.B-2

7151. 56057-93-3 1 1 1 Pyridine, 2-methyl-5-(1-methylethenyl)- XVII.B-2

7152. 20194-71-2 1 1 1 Pyridine, 2-methyl-5-(1-methylethyl)- XVII.B-2

7153. 56057-96-6 1 0 0 Pyridine, 2-methyl-5-(1-propenyl)- XVII.B-2

7154. 1 0 0 Pyridine, 2-methyl-6-(3-methylbutyl)- XVII.B-2

7155. 2294-76-0 1 1 1 Pyridine, 2-pentyl- XVII.B-2

7156. 1008-89-5 1 0 0 Pyridine, 2-phenyl- XVII.B-2

7157. 1 0 0 Pyridine, 2-propenyl- XVII.B-2

7158. 622-39-9 1 0 0 Pyridine, 2-propyl- XVII.B-2

7159. 101-82-6 1 0 0 Pyridine, 2-(phenylmethyl)- XVII.B-2

7160. 64389-08-8 1 0 0 Pyridine, 2-(1,5-dimethyl-1H-pyrrol-2-yl)- XVII.B-4

7161. 7399-50-0 1 0 0 Pyridine, 2-(1-ethylpropyl)- XVII.B-2

7162. 59409-91-5 1 0 0 Pyridine, 2-(1-methyl-3-butenyl)- XVII.B-2

7163. 525-75-7 1 0 0 Pyridine, 2-(1-methyl-1H-pyrrol-2-yl)-

{α-nicotyrine}

XVII.B-4

7164. 17618-94-9 1 0 0 Pyridine, 2-(1-propenyl)- XVII.B-2

7165. 78210-51-2 1 0 0 Pyridine, 2-(1H-pyrrol-1-ylmethyl)- XVII.B-4

7166. 21606-61-1 1 0 0 Pyridine, 2-(2-butenyl)- XVII.B-2

7167. 6304-24-1 1 0 0 Pyridine, 2-(2-methylpropyl)- XVII.B-2

7168. 583-61-9 1 1 1 Pyridine, 2,3-dimethyl- {2,3-lutidine} XVII.B-2

7169. 78210-40-9 1 0 0 Pyridine, 2-(3-ethylphenyl)- XVII.B-2

7170. 68258-35-5 0 1 0 Pyridine-2-13

C-3-14

C, 3-fluoro-5-(2-piperidinyl)-, (±)-, labeled with

13C and

14C

XVII.B-6

7171. 2233-29-6 1 0 0 Pyridine, 2,3,4-trimethyl- {2,3,4-collidine} XVII.B-2




7175. 36238-36-5 1 0 0 Pyridine, 2,4-dimethyl-5-(1-methylethyl)- XVII.B-2




7179. 15827-72-2 0 1 0 Pyridine, 2,5-diphenyl- XVII.B-2


7181. 1463-03-2 1 0 0 Pyridine, 2,6-dimethyl-3-phenyl- XVII.B-2

7182. 3558-69-8 1 0 0 Pyridine, 2,6-diphenyl- XVII.B-2

7183. 1 0 0 Pyridine, (C5-alkenyl)- XVII.B-2

261


CAS No.

S

T

S

T


Selected structures

Chapter

Table


7185. 6760-12-9 1 0 0 Pyridine, 3-butyl-2,6-dimethyl- XVII.B-2




7189. 23580-52-1 0 1 0 Pyridine, 3-ethyl-2,6-dimethyl- XVII.B-2



7192. 7295-76-3 1 1 1 Pyridine, 3-methoxy- XVII.B-2

7193. 78210-42-1 1 0 0 Pyridine, 3-methoxy-5-methyl- XVII.B-2






7199. 18368-73-5 1 0 0 Pyridine, 3-methyl-2-nitro- XVI-1, XVII.B-2


7201. 1802-20-6 1 1 1 Pyridine, 3-pentyl- XVII.B-2


7203. 4673-31-8 1 0 0 Pyridine, 3-propyl- XVII.B-2

7204. 1 1 1 Pyridine, 3-propenyl- XVII.B-2

7205. 8210-50-1 1 0 0 Pyridine, 3-(tetrahydro-2-furanyl)- XVII.B-2

7206. 78210-38-5 1 0 0 Pyridine, 3-(1,3-dimethyl-1H-pyrrol-2-yl)- XVII.B-4

7207. 27293-93-2 0 1 0 Pyridine, 3-(1,3-dimethyl-2-pyrrolidinyl)- XVII.B-4

7208. 1 0 0 Pyridine, 3-(1,5-dimethyl-1H-pyrrol-2-yl)- XVII.B-4

7209. 78210-88-5 1 0 0 Pyridine, 3-[1-(5-ethyl-2-furanyl)-1H-pyrrol-2-yl]- X-2, XVII.B-4

7210. 68245-76-1 0 1 0 Pyridine, 3-(1-ethyl-2-piperidinyl)-, (S)- XVII.B-6

7211. 5979-92-0 1 0 0 Pyridine, 3-(1-ethyl-2-pyrrolidinyl)-, (S)- XVII.B-4

7212. 78210-87-4 1 0 0 Pyridine, 3-[1-[2-(2-furanyl)ethyl]-2-pyrrolidinyl]-, (S)-

X-2, XVII.B-4

7213. 78210-85-2 1 0 0 Pyridine, 3-[1-(2-furanylmethyl)-2-pyrrolidinyl]-, (S)- X-2, XVII.B-4

7214. 123676-95-9 0 1 0 Pyridine, 3-[1-[(hydroxy-1-oxooctyl)oxy]-2-pyrrolidinyl]-

II.A-5, XVII.B-4

7215. 1 0 0 Pyridine, 3-(1-methyl-3-butenyl)- XVII.B-2

7216. 72461-69-9 0 1 0 Pyridine, 3-[1-(1-methylethyl)-2-pyrrolidinyl]-, (S)- XVII.B-4

7217. 15825-89-5 1 0 0 Pyridine, 3-(1-methylethenyl)- XVII.B-2


7219. 78210-86-3 1 0 0 Pyridine, 3-[1-[(5-methyl-2-furanyl)methyl]-2-pyrrolidinyl]-, (S)-

X-2, XVII.B-4

7220. 8210-84-1 1 0 0 Pyridine, 3-[1-methyl-2-(1-methylethyl)-1H-imidazol-5-yl]-

XVII.B-4

262


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7221. 24380-92-5

19730-04-2

1 1 1 Pyridine, 3-(1-methyl-2-piperidinyl)-, (S)- {N-methylanabasine}

XVII.B-6

N

N

CH3

7222. 22083-74-5 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (±)- XVII.B-4

7223. 25162-00-9 1 0 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (R)- {d-nicotine}

XVII.B-4

7224. 54-11-5 1 1 1 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)- {l-nicotine}

N

N

CH3

XVII.B-4, XXI-3

7225. 65-30-5 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-, sulfate (2:1)

XVII.B-4, XXI-3

7226. 6505-86-8 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-, sulfate XVII.B-4, XXI-3

7227. 2820-55-5 1 1 1 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide, (S)- {nicotine N-oxide}

XVII.B-4

7228. 2820-51-1 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, hydrochloride, (S)-

XVII.B-4, XVIII.B-3

7229. 16586-18-8 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, labeled with 14

C, (S)- XVII.B-4

7230. 25429-24-7 1 1 1 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, monohydroxy derivative, (S)-

XVII.B-4

7231. 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 6-hydroxy XVII.B-4

7232. 2055-29-0 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, N,1-dioxide, (S)-

XVII.B-4

7233. 491-26-9 1 0 0 Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, N-oxide, (2S)- XVII.B-4

7234. 1 1 1 Pyridine, 3-(1-methyl-2-pyrrolinyl)- {2,3-dehydronicotine}

N

N

CH3

XVII.B-4

7235. 0 1 0 Pyridine, 3-(1-methyl-2-pyrrolinyl)-6-methyl- XVII.B-4

7236. 487-19-4 1 1 1 Pyridine, 3-(1-methyl-1H-pyrrol-2-yl)- {nicotyrine}

N

N

CH3

XVII.B-4

7237. 1133-64-8

37620-20-5

1 1 1 Pyridine, 3-(1-nitroso-2-piperidinyl)-, (S)- {NAB}

XV-8, XVII.B-6

7238. 16543-55-8 1 1 1 Pyridine, 3-(1-nitroso-2-pyrrolidinyl)-, (S)- {NNN}

XV-8, XVII.B-4

7239. 53844-45-4 1 1 1 Pyridine, 3-(1-nitroso-2-pyrrolidinyl-2-14

C)-, (S)-, label with

14C

XVII.B-4

7240. 1 0 0 Pyridine, 3-(1-pentyl-2-piperidinyl)-, XVII.B-6

7241. 1 0 0 Pyridine, 3-(1-pentyl-2-pyrrolidinyl)- XVII.B-4


263


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7243. 78210-89-6 1 0 0 Pyridine, 3-[1-(5-propyl-2-furanyl)-1H-pyrrol-2-yl]- XVII.B-4

7244. 72692-99-0 1 0 0 Pyridine, 3-(1H-pyrrol-1-yl)- XVII.B-4

7245. 494-98-4 1 1 1 Pyridine, 3-(1H-pyrrol-2-yl)- {nornicotyrine}

N

NH

XVII.B-4


7247. 78210-49-8 1 0 0 Pyridine, 3-(2-methyl-1H-pyrrol-1-yl)- XVII.B-4

7248. 6312-09-0 1 0 0 Pyridine, 3-(2-phenylethyl)- XVII.B-2

7249. 1 0 0 Pyridine, 3-(2-piperidinyl)-, (R)- {d-anabasine} XVII.B-6

7250. 494-52-0 1 1 1 Pyridine, 3-(2-piperidinyl)-, (S)- {l-anabasine}

N

NH

XVII.B-6


7252. 1 0 0 Pyridine, 3-(2-pyrrolidinyl)-, (R)- {d-nornicotine} XVII.B-4

7253. 494-97-3 1 1 1 Pyridine, 3-(2-pyrrolidinyl)-, (S)- {l-nornicotine}

N

NH

XVII.B-4

7254. 53844-44-3 1 1 1 Pyridine, 3-(2-pyrrolidinyl-2-14

C)-, (S)-, labeled with 14

C XVII.B-4


7256. 1 0 0 Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)- {d-myosmine}

XVII.B-4

7257. 532-12-7 1 1 1 Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)- {l-myosmine}

N

NH

N

N

XVII.B-4

7258. 0 1 0 Pyridine, 3-(3,4-dihydro-1-methyl-2H-pyrrol-5-yl)- {N-methylmyosmine}

XVII.B-4

7259. 78249-81-7 1 0 0 Pyridine, 3-(3,4-dihydro-2H-pyrrol-5-yl)-, monomethyl derivative

XVII.B-4

7260. 78210-37-4 1 0 0 Pyridine, 3-(3,4-dihydro-3-methyl-2H-pyrrol-5-yl)- XVII.B-4

7261. 24950-44-5 1 0 0 Pyridine, 3,3'-(1,2-ethenediyl)bis- XVII.B-2

7262. 78210-39-6 1 0 0 Pyridine, 3-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)- XVII.B-4

7263. 18793-19-6 1 1 1 Pyridine, 3,3'-(2,4-piperidinediyl)bis- XVII.B-6

7264. 78210-43-2 1 0 0 Pyridine, 3,3'-methylenebis- XVII.B-2

7265. 1 0 0 Pyridine, 3,4’-methylenebis XVII.B-2

7266. 4385-67-5 1 0 0 Pyridine, 3-(3-methylphenyl)- XVII.B-2

7267. 525-74-6 1 0 0 Pyridine, 3-(4,5-dihydro-1-methyl-1H-pyrrol-2-yl)- XVII.B-4


7269. 1 0 0 Pyridine, 3-(4-butenyl)- XVII.B-2

7270. 78210-41-0 1 0 0 Pyridine, 3-(4-ethylphenyl)- XVII.B-2

7271. 2057-39-8 1 0 0 Pyridine, 3-(4-methyl-3-pentenyl)- XVII.B-2

264


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7272. 72692-97-8 1 0 0 Pyridine, 3-(4-methylpentyl)- XVII.B-2

7273. 78210-44-3 1 0 0 Pyridine, 3-(4-pyridinylmethyl)- XVII.B-6

7274. 78210-45-4 1 0 0 Pyridine, 3-[2,5-dihydro-1-[(5-methyl-2-furanyl)methyl]-1H-pyrrol-2-yl]-

XVII.B-4


7276. 78210-46-5 1 0 0 Pyridine, 3-[(5-methyl-2-furanyl)methyl]- X-2, XVII.B-2




7280. 70199-60-9 1 0 0 Pyridine, 4-(methoxymethyl)- X-2, XVII.B-2



7283. 78210-47-6 1 0 0 Pyridine, 4-methyl-2-(3-methylbutyl)- XVII.B-2

7284. 1 0 0 Pyridine, 4-methyl-2-(2-methylpropyl)- XVII.B-2

7285. 84625-54-7 1 0 0 Pyridine, 4-methyl-2-pentyl- XVII.B-2

7286. 30256-45-2 1 0 0 Pyridine, 4-methyl-2-propyl- XVII.B-2

7287. 75835-01-7 1 0 0 Pyridine, 4-methyl-2-(2-phenylethyl)- XVII.B-2



7290. 2116-65-6 0 1 0 Pyridine, 4-(phenylmethyl)- XVII.B-2


7292. 3978-81-2 1 1 1 Pyridine, 4-(1,1-dimethylethyl)- {4-tert-butylpyridine}

XVII.B-2

7293. 22241-38-9 1 0 0 Pyridine, 4-(4-methylpentyl)- XVII.B-2




7297. 34137-26-3 0 1 0 Pyridine, 5-fluoro-3-(1-methyl-2-pyrrolidinyl)-, (S)- XVII.B-4, XVIII.B-3

7298. 55270-47-8 1 0 0 Pyridine, 5-methoxy-2-methyl- X-2, XVII.B-2



7301. 1 0 0 Pyridine, 5-methyl-2-(2-methylpropyl)- XVII.B-2

7302. 1 0 0 Pyridine, 5-methyl-2-pentyl- XVII.B-2

7303. 1 0 0 Pyridine, 5-methyl-2-propyl- XVII.B-2

7304. 1 0 0 Pyridinecarbonitrile, dimethyl- XI-2, XVII.B-2

7305. 1 0 0 Pyridinecarbonitrile, methyl- XI-2, XVII.B-2

7306. 55738-21-1 1 0 0 Pyridinedicarbonitrile XI-2, XVII.B-2

7307. 17945-79-8 1 0 0 2-Pyridinebutanol II.A-5, XVII.B-2

7308. 100-70-9 1 0 0 2-Pyridinecarbonitrile XI-2, XVII.B-2

7309. 20970-75-6 1 0 0 2-Pyridinecarbonitrile, 3-methyl- XI-2, XVII.B-2


7311. 1452-77-3 1 0 0 2-Pyridinecarboxamide XIII-1, XVII.B-2

265


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7312. 72693-02-8 1 0 0 2-Pyridinecarboxamide, 4,6-dimethyl- XIII-1, XVII.B-2

7313. 32743-35-4 1 0 0 2-Pyridinecarboxamide, 4-ethyl- XIII-1, XVII.B-2



7316. 20970-77-8 1 0 0 2-Pyridinecarboxamide, 5-methyl- XIII-1, XVII.B-2


7318. 1918-02-1 0 1 0 2-Pyridinecarboxylic acid, 4-amino-3,5,6-trichloro- {Picloram®}

XII-2, XVII.B-2, XVIII.B-3, XXI-3

N

COOH

Cl

Cl

Cl

H2N

7319. 40222-77-3 1 0 0 2-Pyridinemethanol, 5-hydroxy- II.A-5, XVII.B-2

7320. 35549-47-4 1 0 0 2-Pyridinepropanenitrile XI-2, XVII.B-2

7321. 42545-63-1 1 0 0 3-Pyridineacetaldehyde III-12, XVII.B-2

7322. 70898-37-2 0 1 0 3-Pyridinebutanal, γ-(methylamino)- III-12, XII-2, XVII.B-2

7323. 64091-90-3 1 1 1 3-Pyridinebutanal, γ-(methylnitrosoamino)- {NNA}

III-12, XV-8, XVII.B-2

7324. 64142-45-6 1 1 1 3-Pyridinebutanal, γ-(methylnitrosoamino)-, (Z)- III-12, XV-8, XVII.B-2

7325. 76014-80-7 0 1 0 3-Pyridinebutanal, γ-oxo- III-12, III-13, XVII.B-2

7326. 1 0 0 3-Pyridinebutanamide, N-methyl- III-12, XVII.B-2

7327. 3000-74-6 1 1 1 3-Pyridinebutanamine, N-methyl- {dihydrometanicotine}

XII-2, XVII.B-2

N

NH-CH3

7328. 17270-48-3 0 1 0 3-Pyridinebutanoic acid, γ-(methylamino)-, (±)- IV.A-3, XII-2, XVII.B-2

7329. 152720-16-6 0 1 0 3-Pyridinebutanoic acid, γ-(methylnitroamino)- IV.A-3, XII-2, XVI-1, XVII.B-2

7330. 124128-84-0

133201-36-2

1 1 1 3-Pyridinebutanoic acid, γ-(methylnitrosoamino)- {iso-NNAC}

IV.A-3, XV-8, XVII.B-2

7331. 4192-31-8 0 1 0 3-Pyridinebutanoic acid, γ-oxo- III-13, IV.A-3, XVII.B-2

N

CO-(CH2)2-COOH

7332. 15873-27-5 1 1 1 3-Pyridinebutanoic acid, 1,6-dihydro-γ,6-dioxo- III-13, IV.A-3, XVII.B-2

N

CO-(CH2)2-COOH

OH

7333. 59578-66-4 1 1 1 3-Pyridinebutanol, δ-(methylnitrosoamino)- {NNAL}

{1-butanol, 4-(N-methylnitrosamino)-1-(3-pyridinyl)-}

II.A-5, XV-8, XVII.B-2

266


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7334. 133201-37-3 1 1 1 3-Pyridinebutanol, δ-(methylnitrosoamino)- {iso-NNAL}

{1-butanol, 4-(N-methylnitrosamino)-4-(3-pyridinyl)-}


7335. 70898-36-1 0 1 0 3-Pyridinebutanol, δ-amino- II.A-5, XII-2, XVII.B-2

7336. 100-54-9 1 1 1 3-Pyridinecarbonitrile {nicotinonitrile} XI-2, XVII.B-2

7337. 38076-78-7 1 0 0 3-Pyridinecarbonitrile, 2-amino-5-methyl- XI-2, XVII.B-2

7338. 71607-63-1 1 0 0 3-Pyridinecarbonitrile, dimethyl- XI-2, XVII.B-2

7339. 61391-07-9 1 0 0 3-Pyridinecarbonitrile, 5-ethyl- XI-2, XVII.B-2

7340. 3222-52-4 32214-82-7

1 0 0 3-Pyridinecarbonitrile, 6-ethyl- XI-2, XVII.B-2



7343. 500-22-1 1 1 1 3-Pyridinecarboxaldehyde

{nicotinaldehyde; 3-formylpyridine}

CH=O

N

III-12, XVII.B-2

7344. 98-92-0 1 1 1 3-Pyridinecarboxamide {nicotinamide}

N

CO-NH2

XIII-1, XVII.B-2







7351. 4314-66-3 1 0 0 3-Pyridinecarboxamide, N-ethyl- XIII-1, XVII.B-2

7352. 114-33-0 1 1 1 3-Pyridinecarboxamide, N-methyl- XIII-1, XVII.B-2

7353. 1453-82-3 0 1 0 4-Pyridinecarboxamide {isonicotinamide} XIII-1, XVII.B-2

7354. 59-67-6 1 1 1 3-Pyridinecarboxylic acid {nicotinic acid} IV.A-3, XVII.B-2

7355. 5006-66-6 0 1 0 3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo- III-13, IV.A-3, XVII.B-2

7356. 93-60-7 1 1 1 3-Pyridinecarboxylic acid, methyl ester {methyl nicotinate}

V-3, XVII.B-2

7357. 89-00-9 0 1 0 2,3-Pyridinedicarboxylic acid {quinolinic acid} IV.A-3, XVII.B-2

7358. 58-56-0 0 1 0 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride

II.A-5, XVII.B-2, XVIII.B-3

7359. 13121-99-8 1 0 0 4-Pyridineacetonitrile XI-2, XVII.B-2

7360. 5264-15-3 1 0 0 4-Pyridinebutanol II.A-5, XVII.B-2

7361. 100-48-1 1 0 0 4-Pyridinecarbonitrile XI-2, XVII.B-2

7362. 5154-01-8 0 1 0 2,5-Pyridinediol II.A-5, XVII.B-2

7363. 626-06-2 0 1 0 2,6-Pyridinediol II.A-5, XVII.B-2

7364. 70898-25-8 1 0 0 2,6(1H,3H)-Pyridinedione, 3,5-dimethyl- XIV-1, XVII.B-2

267


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7365. 72692-95-6 1 0 0 2,6(1H,3H)-Pyridinedione, 4-methyl-

NH

OO1

2

34

CH3

XIV-1, XVII.B-2

7366. 72692-94-5 1 0 0 2,6(1H,3H)-Pyridinedione, 5-methyl- XIV-1, XVII.B-2

7367. 1 0 0 3-Pyridinemethanamine, ethyl- XII-2, XVII.B-2

7368. 3000-75-7 1 0 0 3-Pyridinemethanamine, N-ethyl- XII-2, XVII.B-2

7369. 100-55-0 0 1 0 3-Pyridinemethanol II.A-5, XVII.B-2

7370. 76014-81-8 0 1 0 3-Pyridinemethanol, α-[3-(methylnitrosoamino)propyl]-


7371. 85352-99-4 0 1 0 3-Pyridinemethanol, α-[3-(methylnitrosoamino)propyl]-, 1-oxide


7372. 71608-01-0 0 1 0 3-Pyridinepentanoic acid, 1,6-dihydro-δ,6-dioxo-

III-13, IV.A-3, XVII.B-2, XVII.C-1

NH

CO-(CH2)3-COOH

O

7373. 39954-19-3 0 1 0 2,3,6-Pyridinetriol

{see 2(1H)-pyridinone, 3,6-dihydroxy-}

II.A-5, XVII.B-2

7374. 60655-87-0 0 1 0 Pyridinium, 1-α-L-arabinopyranosyl-3-carboxy- II.A-5, XVII.B-2

7375. 35323-45-6 0 1 0 Pyridinium, 3-carboxy-1-β-D-glucopyranosyl-, hydroxide {trigonelline}

II.A-5, XVII.B-2

7376. 535-83-1 0 1 0 Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt

II.A-5, XVII.B-2

7377. 27341-45-3 1 0 0 Pyridinol II.A-5, XVII.B-2

7378. 1 1 1 Pyridinol, methyl- II.A-5, XVII.B-2

7379. 51025-25-3 1 0 0 Pyridinol, dimethyl- II.A-5, XVII.B-2

7380. 72762-00-6 1 0 0 2-Pyridinol {2(1H)-pyridinone} II.A-5, XVII.B-2

7381. 1 0 0 2-Pyridinol, 3,4-dimeth

{2(1H)-pyridinone, 3,4-dimethyl-}

II.A-5, XVII.B-2

7382. 1 0 0 2-Pyridinol, 3,5-dimethyl- II.A-5, XVII.B-2



7385. 1 0 0 2-Pyridinol, 6-ethyl- II.A-5, XVII.B-2

7386. 1 0 0 2-Pyridinol, 3-methyl- II.A-5, XVII.B-2

7387. 1 0 0 2-Pyridinol, 5-methyl- II.A-5, XVII.B-2

7388. 3279-76-3 1 0 0 2-Pyridinol, 6-methyl- {2(1H)-pyridinone, 6-methyl-}

II.A-5, XVII.B-2

7389. 1 1 1 2-Pyridinol, 4-phenyl- II.A-5, XVII.B-2

7390. 0 1 0 2-Pyridinol, 5-(2,3,4,5-tetrahydropyridinyl)- II.A-5, XVII.B-6

N

HO N

268


CAS No.

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Selected structures

Chapter

Table

7391. 0 1 0 2-Pyridinol-5-butanoic acid, γ-oxo- III-13, IV.A-3, XVII.B-2

HO N

CO-(CH2)2-COOH

7392. 0 1 0 2-Pyridinol-5-pentanoic acid, δ-oxo- III-13, IV.A-3, XVII.B-2

7393. 109-00-2 1 0 0 3-Pyridinol II.A-5, XVII.B-2

7394. 17747-43-2 1 0 0 3-Pyridinol, acetate (ester) V-3, XVII.B-2

7395. 1 0 0 3-Pyridinol, alkyl- II.A-5, XVII.B-2

7396. 27296-76-0 1 0 0 3-Pyridinol, 2,4-dimethyl- II.A-5, XVII.B-2




7400. 61893-02-5 1 1 1 3-Pyridinol, 2-ethyl- II.A-5, XVII.B-2

7401. 62003-48-9 1 0 0 3-Pyridinol, 5-ethyl- II.A-5, XVII.B-2

7402. 1 0 0 3-Pyridinol, 6-ethyl- II.A-5, XVII.B-2

7403. 42451-07-0 1 0 0 3-Pyridinol, 6-ethyl-2-methyl- II.A-5, XVII.B-2

7404. 61893-01-4 1 0 0 3-Pyridinol, 6-ethyl-4-methyl- II.A-5, XVII.B-2

7405. 1 0 0 3-Pyridinol, 6-hydroxymethyl- II.A-5, XVII.B-2

7406. 91491-14-4 1 0 0 3-Pyridinol, methyl- II.A-5, XVII.B-2

7407. 1121-25-1 1 1 1 3-Pyridinol, 2-methyl- II.A-5, XVII.B-2




7411. 14159-68-3 1 0 0 3-Pyridinol, 2-propyl- II.A-5, XVII.B-2



7414. 626-64-2 1 0 0 4-Pyridinol II.A-5, XVII.B-2

7415. 142-08-5 1 1 1 2(1H)-Pyridinone XVII.B-2, XVII.C-1

N O N OHONH

7416. 61892-76-0 1 0 0 2(1H)-Pyridinone, 5-acetyl-3,4-dihydro- XVII.B-2, XVII.C-1

7417. 57147-25-8 1 0 0 2(1H)-Pyridinone, 3,4-dihydro- XVII.B-2, XVII.C-1

7418. 61892-77-1 1 0 0 2(1H)-Pyridinone, 3,6-dihydro- XVII.B-2, XVII.C-1

7419. 6052-73-9 1 1 1 2(1H)-Pyridinone, 5,6-dihydro- {2-piperidone, 3,4-dehydro-}

N OH

12

3

4

5

6

XVII.B-2, XVII.C-1

7420. 0 1 0 2(1H)-Pyridinone, 5,6-dihydro-3,6,6-trimethyl- XVII.B-2, XVII.C-1

7421. 70969-38-9 0 1 0 2(1H)-Pyridinone, 5-(3,4-dihydro-2H-pyrrol-5-yl)- XVII.B-2, XVII.C-1

7422. 39954-19-3 0 1 0 2(1H)-Pyridinone, 3,6-dihydroxy- {see 2,3,6-pyridinetriol}

XVII.B-2, XVII.C-1

7423. 72692-83-2 1 0 0 2(1H)-Pyridinone, dimethyl- XVII.B-2, XVII.C-1

269


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Selected structures

Chapter

Table

7424. 6456-92-4 1 0 0 2(1H)-Pyridinone, 1,3-dimethyl- XVII.B-2, XVII.C-1





7429. 61892-99-7 1 0 0 2(1H)-Pyridinone, 6-ethyl- XVII.B-2, XVII.C-1

7430. 5154-01-8 0 1 0 2(1H)-Pyridinone, 5-hydroxy- II.A-5, XVII.B-2, XVII.C-1

7431. 626-06-2 0 1 0 2(1H)-Pyridinone, 6-hydroxy- II.A-5, XVII.B-2, XVII.C-1

7432. 694-85-9 1 1 1 2(1H)-Pyridinone, 1-methyl-

N O

CH3

12

3

4

5

6

XVII.B-2, XVII.C-1

7433. 1003-56-1 1 0 0 2(1H)-Pyridinone, 3-methyl- XVII.B-2, XVII.C-1



7436. 40316-88-9 1 0 0 2(1H)-Pyridinone, 3-(1-methyl-2-pyrrolidinyl)-, (S)- {nicotone}

XVII.B-4, XVII.C-1

7437. 10516-09-3 0 1 0 2(1H)-Pyridinone, 5-(1-methyl-2-pyrrolidinyl)-, (S)- XVII.B-4, XVII.C-1

7438. 19006-81-6 1 0 0 2(1H)-Pyridinone, 4-phenyl- XVII.B-2, XVII.C-1

7439. 58064-43-0 1 1 1 3-Pyridinone III-13, XVII.B-2

7440. 108-96-3 1 0 0 4(1H)-Pyridinone III-13, XVII.B-2

7441. 1 0 0 Pyridoindole XVII.E-6

7442. 1 0 0 Pyridoindole, butyl- XVII.E-6

7443. 1 0 0 Pyridoindole, C3-alkyl- XVII.E-6

7444. 1 0 0 Pyridoindole, N-methyl- XVII.E-6

7445. 26148-68-5 1 0 0 1H-Pyrido[2,3-b]indol-2-amine {AαC} XII-2, XVII.F-8

NH

N

NH2

7446. 68006-83-7 1 0 0 1H-Pyrido[2,3-b]indol -2-amine, 3-methyl-

{MeAαC}

XII-2, XVII.F-8

NH

N

NH2

CH3

7447. 244-76-8 1 0 0 1H-Pyrido[2,3-b]indole

NH

N1

2

34

XVII.E-6

7448. 72693-00-6 1 0 0 1H-Pyrido[2,3-b]indole, 1-butyl- XVII.E-6

7449. 61893-11-6 1 0 0 1H-Pyrido[2,3-b]indole, 2-ethyl- XVII.E-6

7450. 1 0 0 1H-Pyrido[2,3-b]indole, 2-methyl- XVII.E-6

7451. 1 0 0 1H-Pyrido[2,3-b]indole, 3-methyl- XVII.E-6

270


CAS No.

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Selected structures

Chapter

Table

7452. 78210-53-4 1 0 0 1H-Pyrido[2,3-b]indole, 2-(2-methylpropyl)- XVII.E-6

7453. 78210-54-5 1 0 0 1H-Pyrido[2,3-b]indole, 2-pentyl- XVII.E-6

7454. 42438-90-4 1 0 0 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-, (S)-

IV.A-3, XVII.E-8

7455. 40678-46-4 1 0 0 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1S-cis)-

IV.A-3, XVII.E-8

7456. 83177-17-7 0 1 0 3H-Pyrido[3,4-b]indol-7-ol; 1,2-dihydro-

{1,2-dihydro-1-demethylharmalol}

XVII.E-8

NH

NHHO

7457. 62450-06-0 1 0 0 5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl- {Trp-P-1}

XII-2, XVII.F-8

NH

N

CH3

NH2

CH3

7458. 62450-07-1 1 0 0 5H-Pyrido[4,3-b]indol-3-amine, 1-methyl- {Trp-P-2}

XII-2, XVII.F-8

NH

N

CH3

NH2

7459. 17276-85-6 1 0 0 9H-Pyrido[2,3-b]indole, 2-methyl- XVII.E-6

7460. 244-63-3 1 1 1 9H-Pyrido[3,4-b]indole

{norharman = β-carboline = 2-azacarbazole} NH

N

XVII.E-6

7461. 10371-85-4 1 0 0 9H-Pyrido[3,4-b]indole, 1-butyl- XVII.E-6

7462. 20127-61-1 1 0 0 9H-Pyrido[3,4-b]indole, 1-ethyl- XVII.E-6

7463. 1 0 0 9H-Pyrido[3,4-b]indole, methyl- {methylnorharman}

XVII.E-6

7464. 486-84-0 1 1 1 9H-Pyrido[3,4-b]indole, 1-methyl- {harman}

NH

N

CH3

XVII.E-6

7465. 78210-55-6 1 0 0 9H-Pyrido[3,4-b]indole, 1-(1-propenyl)- XVII.E-6

7466. 78538-74-6 1 0 0 9H-Pyrido[3,4-b]indole-3-carboxamide, N-methyl- XIII-1, XVII.E-8

7467. 50609-61-5 1 0 0 4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 9-hydroxy-4-oxo-, ethyl ester

II.A-5, V-3, XVII.E-8

7468. 3303-26-2 0 1 0 Pyrido[3,2-d]pyrimidin-4-ol, 2-methyl- II.A-5, XVII.E-8

7469. 289-95-2 0 1 0 Pyrimidine {1,3-diazine} N

N

XVII.B-2

271


CAS No.

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Selected structures

Chapter

Table

7470. 5221-53-4 0 1 0 Pyrimidine, 5-butyl-2-dimethylamino-4-hydroxy-6-methyl- {Dimetherimol®}

N (CH3)2

CH3HO

(CH2)3-CH3

NN

II.A-5, XVII.B-2,

XXI-3

7471. 72692-81-0 1 0 0 Pyrimidine, dimethyl- XVII.B-2

7472. 14331-54-5 1 0 0 Pyrimidine, 2,4-dimethyl- XVII.B-2

7473. 1 0 0 Pyrimidine, 2,5-dimethyl-6-hydroxy- XVII.B-2

7474. 1558-17-4 1 0 0 Pyrimidine, 4,6-dimethyl- XVII.B-2

7475. 88070-43-3 1 0 0 Pyrimidine, 5-hydroxy-4-phenyl- II.A-5, XVII.B-2

7476. 1 0 0 Pyrimidine, methylethyl- {2 isomers} XVII.B-2

7477. 66-22-8 0 1 0 2,4(1H,3H)-Pyrimidinedione {uracil}

O N

HN

H

O

XVII.B-2

7478. 4160-77-4 1 0 0 2,4(1H,3H)-Pyrimidinedione, 3,5-dimethyl- XVII.B-2

7479. 61893-13-8 1 0 0 2,4(1H,3H)-Pyrimidinedione, 3-ethyldihydro-5-methyl-

XVII.B-2

7480. 65-71-4 1 1 1 2,4(1H,3H)-Pyrimidinedione, 5-methyl- {thymine}

XVII.B-2

7481. 71-30-7 0 1 0 2(1H)-Pyrimidinone, 4-amino- {cytosine} H2N

NHN

O

XVII. B-2, XVII.C-1

7482. 34939-17-8 1 0 0 2(1H)-Pyrimidinone, 4,5-dimethyl-= 2- Pyrimidinol, 4,5-dimethyl-

XVII.B-2, XVII.C-1

7483. 3059-71-0 1 0 0 4(1H)-Pyrimidinone, 2,5-dimethyl- = 6-Pyrimidinol, 2,5-dimethyl-

XVII.B-2, XVII.C-1


XVII.B-2, XVII.C-1


XVII.B-2, XVII.C-1

7486. 16858-16-5 1 0 0 4(1H)-Pyrimidinone, 6-methyl-2-propyl- = 6-Pyrimidinol, 4-methyl-2-propyl-

XVII.B-2, XVII.C-1

7487. 533-37-9 1 0 0 5H-1-Pyrindine, 6,7-dihydro- XVII.E-8

7488. 55713-43-4 0 1 0 7H-2-Pyrindin-7-one, 5,6-dihydro-3,6,6-trimethyl-

N

CH3

CH3

H3C

O

12

3

45

6

7

III-13

7489. 9033-44-7 0 1 0 Pyrophosphatase XXII-2

7490. 9024-82-2 0 1 0 Pyrophosphatase, inorganic XXII-2

7491. 37289-33-1 0 1 0 Pyrophosphatase, nicotinamide adenine dinucleotide

XXII-2

7492. 9032-64-8 0 1 0 Pyrophosphatase, nucleotide XXII-2

7493. 9038-53-3 0 1 0 Pyrophosphatase, thiamin XXII-2

7494. 68858-66-2 0 1 0 Pyrophosphorylase XXII-2

7495. 37277-74-0 0 1 0 Pyrophosphorylase, nicotinate mononucleotide (carboxylating)

XXII-2

272


CAS No.

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Selected structures

Chapter

Table

7496. 106398-69-0 1 0 0 Pyrrole, butyl- XVII.A-4

7497. 71607-59-5 1 0 0 Pyrrole, dihydromethyl- XVII.A-4

7498. 1 0 0 Pyrrole, hydroxymethyl- II.A-5, XVII.A-4

7499. 109-97-7 1 1 1 1H-Pyrrole {azole}

NH

2

34

5

XVII.A-4

7500. 609-41-6 1 0 0 1H-Pyrrole, 1-acetyl- XVII.A-4

7501. 23105-58-0 1 0 0 1H-Pyrrole, 1-acetyl-2,3-dihydro- XVII.A-4

7502. 38207-11-3 0 1 0 1H-Pyrrole, 1-acetyl-2-methyl- XVII.A-4

7503. 0 1 0 1H-Pyrrole, 1-acetyl-3-methyl- XVII.A-4

7504. 589-33-3 1 0 0 1H-Pyrrole, 1-butyl- XVII.A-4

7505. 62672-96-2 1 0 0 1H-Pyrrole, 1-(1-cyclohexen-1-yl)- XVII.A-4

7506. 28350-87-0 1 0 0 1H-Pyrrole, dihydro- XVII.A-4

7507. 109-96-6 1 1 1 1H-Pyrrole, 2,5-dihydro- {3-pyrroline}

NH

1 2

34

5

XVII.A-4

7508. 554-15-4 0 1 0 1H-Pyrrole, 2,5-dihydro-1-methyl- XVII.A-4

7509. 1 0 0 1H-Pyrrole, 2,3-dimethyl- XVII.A-4

7510. 625-82-1 1 1 1 1H-Pyrrole, 2,4-dimethyl- XVII.A-4

7511. 625-84-3 1 1 1 1H-Pyrrole, 2,5-dimethyl- XVII.A-4

7512. 1 0 0 1H-Pyrrole, 3,4-dimethyl- XVII.A-4

7513. 2433-66-1 0 1 0 1H-Pyrrole, 2-ethenyl- XVII.A-4

7514. 617-92-5 1 1 1 1H-Pyrrole, 1-ethyl- XVII.A-4

7515. 1 0 0 1H-Pyrrole, 3-ethyl-1-phenyl- XVII.A-4

7516. 1 0 0 1H-Pyrrole, 1-(2-furanyl)- XVII.A-4

7517. 1438-94-4 1 1 1 1H-Pyrrole, 1-(2-furanylmethyl)- XVII.A-4

7518. 27417-39-6 1 0 0 1H-Pyrrole, methyl- XVII.A-4

7519. 96-54-8 1 1 1 1H-Pyrrole, 1-methyl- XVII.A-4


7521. 1 0 0 1H-Pyrrole, 2-methyl-1-phenyl- XVII.A-4


7523. 0 1 0 1H-Pyrrole, 3-methyl-4-ethyl- XVII.A-4

7524. 1 0 0 1H-Pyrrole, 3-methyl-1-phenyl- XVII.A-4

7525. 13679-79-3 1 1 1 1H-Pyrrole, 1-(3-methylbutyl)- XVII.A-4

7526. 66309-87-3 1 0 0 1H-Pyrrole, 1-(2-methyl-1-cyclohexen-1-yl)- XVII.A-4

7527. 7057-97-8 1 0 0 1H-Pyrrole, 1-(1-methylethyl)- XVII.A-4

7528. 13678-52-9 1 0 0 1H-Pyrrole, 1-[(5-methyl-2-furanyl)methyl]- XVII.A-4

7529. 78075-83-9 1 0 0 1H-Pyrrole, 2-methyl-1-(phenylmethyl)- XVII.A-4

7530. 20884-13-3 1 0 0 1H-Pyrrole, 1-(2-methylpropyl)- XVII.A-4

7531. 61480-97-5 1 0 0 1H-Pyrrole, 1-(1-oxobutyl)- XVII.A-4

7532. 699-22-9 1 0 0 1H-Pyrrole, 1-pentyl- XVII.A-4

7533. 635-90-5 1 0 0 1H-Pyrrole, 1-phenyl- XVII.A-4

273


CAS No.

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T

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T


Selected structures

Chapter

Table

7534. 50691-29-7 1 0 0 1H-Pyrrole, 1-(2-phenylethyl)- XVII.A-4

7535. 5145-64-2 1 0 0 1H-Pyrrole, 1-propyl- XVII.A-4

7536. 1551-08-2 0 1 0 1H-Pyrrole, 2-propyl- XVII.A-4

7537. 71646-51-0 1 0 0 1H-Pyrrolecarbonitrile, methyl- XI-2, XVII.A-4

7538. 89145-04-0 0 1 0 1H-Pyrrolecarboxaldehyde III-12, XVII.A-4

7539. 72692-79-6 1 0 0 1H-Pyrrolecarboxylic acid, ethyl ester V-3, XVII.A-4

7540. 84499-92-3 0 1 0 1H-Pyrrole-1-acetic acid, 2-(ethoxymethyl)-5-formyl- IV.A-3, X-2, XVII.A-4

7541. 61837-43-2 0 1 0 1H-Pyrrole-1-acetic acid, 2-ethyl-5-formyl-α-(2-methylpropyl)-

IV.A-3, XVII.A-4

7542. 60026-07-5 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-(1-methylethyl)-

IV.A-3, XVII.A-4

CHO

CH

HOOC

N

CH(CH3)2

7543. 60026-08-6 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-(1-methylpropyl)-

IV.A-3, XVII.A-4

CHO

CH

HOOC

N

CH(CH3)-CH2-CH3

7544. 60026-09-7 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-(2-methylpropyl)-

IV.A-3, XVII.A-4

CHO

CH

HOOC CH2-CH=(CH3)2

N

7545. 1 0 0 1H-Pyrrole-1-acetic acid, 2-formyl-5-hydroxymethyl-

α-(2-methylpropyl)-

II.A-5, IV.A-3, XVII.A-4

7546. 61837-42-1 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α,5-dimethyl- IV.A-3, XVII.A-4

7547. 61837-35-2 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-hexyl- IV.A-3, XVII.A-4

7548. 60026-30-4 0 1 0 1H-Pyrrole-1-acetic acid, 2-formyl-α-methyl- IV.A-3, XVII.A-4

7549. 61837-38-5 0 1 0 1H-Pyrrole-1-butanoic acid, 2-formyl- II.A-5, IV.A-3, XVII.A-4

7550. 61837-39-6 0 1 0 1H-Pyrrole-1-butanoic acid, 2-formyl-γ-methyl- IV.A-3, XVII.A-4

7551. 61837-44-3 0 1 0 1H-Pyrrole-1-butanoic acid, 2-formyl-5-methyl- IV.A-3, XVII.A-4

7552. 61837-40-9 0 1 0 1H-Pyrrole-1-hexanoic acid, 2-formyl- IV.A-3, XVII.A-4

7553. 61837-41-0 0 1 0 1H-Pyrrole-1-octanoic acid, 2-formyl- IV.A-3, XVII.A-4

7554. 70898-32-7 0 1 0 1H-Pyrrole-1-octanoic acid, 2-formyl-5-methyl- IV.A-3, XVII.A-4

7555. 61837-37-4 0 1 0 1H-Pyrrole-1-propanoic acid, β-ethyl-2-formyl- IV.A-3, XVII.A-4

7556. 61837-36-3 0 1 0 1H-Pyrrole-1-propanoic acid, 2-formyl-β-methyl- IV.A-3, XVII.A-4

7557. 1 0 0 1H-Pyrrole-2-acetaldehyde, α-hydroxy- III-12, XVII.A-4

7558. 72693-01-7 1 0 0 1H-Pyrrole-2-acetaldehyde, α-oxo- III-13, XVII.A-4

7559. 4513-94-4 1 0 0 1H-Pyrrole-2-carbonitrile XI-2, XVII.A-4

7560. 1 0 0 1H-Pyrrole-2-carbonitrile, methyl- {2 isomers} XI-2, XVII.A-4

7561. 26173-92-2 1 0 0 1H-Pyrrole-2-carbonitrile, 5-methyl- XI-2, XVII.A-4

7562. 1003-29-8 1 1 1 1H-Pyrrole-2-carboxaldehyde III-12, XVII.A-4

7563. 13788-32-4 0 1 0 1H-Pyrrole-2-carboxaldehyde, 1-(2-furanylmethyl)- III-12, XVII.A-4

274


CAS No.

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T

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T


Selected structures

Chapter

Table

7564. 13678-79-0 0 1 0 1H-Pyrrole-2-carboxaldehyde, 1-(3-methylbutyl)- III-12, XVII.A-4

7565. 1 0 0 1H-Pyrrole-2-carboxaldehyde, ethyl- III-12, XVII.A-4

7566. 2167-14-8 1 0 0 1H-Pyrrole-2-carboxaldehyde, 1-ethyl- III-12, XVII.A-4

7567. 1 0 0 1H-Pyrrole-2-carboxaldehyde, methyl- III-12, XVII.A-4

7568. 1192-58-1 1 1 1 1H-Pyrrole-2-carboxaldehyde, 1-methyl- III-12, XVII.A-4

7569. 29813-44-3 1 1 1 1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-methyl-

II.A-5, III-12, XVII.A-4

7570. 52115-69-2 0 1 0 1H-Pyrrole-2-carboxaldehyde, 5-[(acetyloxy)methyl]-

III-12, XVII.A-4


7572. 4551-72-8 1 0 0 1H-Pyrrole-2-carboxamide XIII-1, XVII.A-4

7573. 634-97-9 1 0 0 1H-Pyrrole-2-carboxylic acid IV.A-3, XVII.A-4

7574. 3220-74-4 0 1 0 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro- IV.A-3, XVII.A-4

7575. 3757-53-7 1 0 0 1H-Pyrrole-2-carboxylic acid, 5-methyl- IV.A-3, XVII.A-4

7576. 3284-51-3 1 0 0 1H-Pyrrole-2-carboxylic acid, 5-methyl-, ethyl ester V-3, XVII.A-4

7577. 1194-97-4 1 0 0 1H-Pyrrole-2-carboxylic acid, 5-methyl-, methyl ester

V-3, XVII.A-4

7578. 1193-62-0 1 0 0 1H-Pyrrole-2-carboxylic acid, methyl ester XVII.A-4

7579. 1 0 0 1H-Pyrrole-3-acetonitrile XVII.A-4

7580. 7126-38-7 1 0 0 1H-Pyrrole-3-carbonitrile XVII.A-4


7582. 103002-58-0 0 1 0 1H-Pyrrole-3-carboxaldehyde, 4,5-dihydro-2-methyl- III-12, XVII.A-4

7583. 78210-62-5 1 0 0 1H-Pyrrole-3-carboxaldehyde, 5-ethyl- III-12, XVII.A-4

7584. 936-12-9 1 0 0 1H-Pyrrole-3-carboxylic acid, 2-methyl-, ethyl ester V-3, XVII.A-4

7585. 487-90-1 0 1 0 1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)-4-(carboxymethyl)-

IV.A-3, XII-2, XVII.A-4

7586. 541-59-3 1 1 1 1H-Pyrrole-2,5-dione {maleimide} XIV-2, XVII.A-4

7587. 29720-92-1 1 1 1 1H-Pyrrole-2,5-dione, ethylmethyl- XIV-2, XVII.A-4

7588. 128-53-0 1 0 0 1H-Pyrrole-2,5-dione, 1-ethyl- XIV-2, XVII.A-4

7589. 5997-61-5 1 0 0 1H-Pyrrole-2,5-dione, 3-ethyl- XIV-2, XVII.A-4

7590. 61892-73-7 1 0 0 1H-Pyrrole-2,5-dione, 3-(hydroxymethyl)- II.A-5, XIV-2, XVII.A-4

7591. 61892-71-5 1 0 0 1H-Pyrrole-2,5-dione, 3,4-bis(hydroxymethyl)-1-methyl-

II.A-5, XIV-2, XVII.A-4

7592. 17825-86-4 1 1 1 1H-Pyrrole-2,5-dione, 3,4-dimethyl- XIV-2, XVII.A-4

7593. 61892-72-6 1 0 0 1H-Pyrrole-2,5-dione, 3-ethyl-4-(hydroxymethyl)- II.A-5, XIV-2, XVII.A-4

7594. 20189-42-8 1 1 1 1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl- XIV-2, XVII.A-4

7595. 1072-87-3 1 0 0 1H-Pyrrole-2,5-dione, 3-methyl- XIV-2, XVII.A-4

7596. 60026-19-9 0 1 0 1H-Pyrrole-2,5-dione, 3-propyl- XIV-2, XVII.A-4

7597. 3317-61-1 1 0 0 2H-Pyrrole, 3,4-dihydro-2,2-dimethyl-, 1-oxide XVII.A-4

7598. 121197-26-0 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3-butyl-5-(2-methylpropyl)-

XVII.C-1, XVII.A-4

7599. 121197-16-8 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3-butyl-5-propyl- XVII.C-1, XVII.A-4

7600. 121197-27-1 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3,5-bis(2-methylpropyl)- XVII.C-1, XVII.A-4

7601. 121197-23-7 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3,5-dibutyl- XVII.C-1, XVII.A-4

275


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7602. 121197-14-6 1 0 0 2H-Pyrrole-2,4(3H)-dione, 3,5-dipropyl- XVII.C-1, XVII.A-4

7603. 121197-21-5 1 0 0 2H-Pyrrole-2,4(3H)-dione, 5-(2-methylpropyl)-3-propyl-

XVII.C-1, XVII.A-4

7604. 121197-24-8 1 0 0 2H-Pyrrole-2,4(3H)-dione, 5-butyl-3-(2-methylpropyl)-

XVII.C-1, XVII.A-4

7605. 121213-26-1 1 0 0 2H-Pyrrole-2,4(3H)-dione, 5-butyl-3-propyl- XVII.C-1, XVII.A-4

7606. 72692-82-1 1 0 0 1H-Pyrrolemethanol II.A-5, XVII.A-4

7607. 123-75-1 1 1 1 Pyrrolidine

NH

2

34

5

XVII.A-4

7608. 71607-78-8 1 0 0 Pyrrolidine, diethyl- XVII.A-4

7609. 71607-79-9 1 0 0 Pyrrolidine, dimethyl- XVII.A-4

7610. 1 0 0 Pyrrolidine, 2.5-dimethyl-, 1-nitroso- XV-8, XVII.A-4

7611. 71607-80-2 1 0 0 Pyrrolidine, ethyl- XVII.A-4

7612. 4030-18-6 1 1 1 Pyrrolidine, 1-acetyl- XVII.A-4

7613. 5979-94-2 1 1 1 Pyrrolidine, 1-acetyl-2-(3-pyridinyl)-, (S)- (N’-acetylnornicotine}

XIII-1, XVII.B-4, XXI-3

7614. 7335-06-0 1 0 0 Pyrrolidine, 1-ethyl- XVII.A-4

7615. 0 1 0 Pyrrolidine, 1-ethyl-2-(3-pyridinyl)- (N’-ethylnornicotine}

XVII.B-4, XXI-3

7616. 120-94-5 1 1 1 Pyrrolidine, 1-methyl- XVII.A-4

7617. 930-55-2 1 1 1 Pyrrolidine, 1-nitroso- {NPYR}

N

NO

XV-8, XVII.A-4

7618. 7335-07-1 1 0 0 Pyrrolidine, 1-propyl- XVII.A-4

7619. 91907-45-8 0 1 0 Pyrrolidine, 1-propyl-2-(3-pyridinyl)- (N’-propylnornicotine}

XVII.B-4, XXI-3

7620. 117642-93-0 0 1 0 Pyrrolidine, 1-(10-methyl-1-oxododecyl)-2-(3-pyridinyl)-

XIII-1, XVII.B-4

7621. 120376-92-3 0 1 0 Pyrrolidine, 1-(10-methyl-1-oxoundecyl)-2-(3-pyridinyl)-

XIII-1, XVII.B-4

7622. 117642-94-1 0 1 0 Pyrrolidine, 1-(10-methyl-1-oxoundecyl)-2-(3-pyridinyl)-, (S)-

XIII-1, XVII.B-4

7623. 120042-36-6 0 1 0 Pyrrolidine, 1-(11-methyl-1-oxododecyl)-2-(3-pyridinyl)-, (S)-

XIII-1, XVII.B-4

7624. 120376-93-4 0 1 0 Pyrrolidine, 1-(12-methyl-1-oxotridecyl)-2-(3-pyridinyl)-

XIII-1, XVII.B-4

7625. 69730-91-2 1 1 1 Pyrrolidine, 1-(1-oxobutyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4

7626. 115849-75-7 0 1 0 Pyrrolidine, 1-(1-oxododecyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4

7627. 74173-71-0 1 0 0 Pyrrolidine, 1-(1-oxoheptyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4

7628. 38854-09-0 1 1 1 Pyrrolidine, 1-(1-oxohexyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4

7629. 1 0 0 Pyrrolidine, 1-(1-oxo-?-octenyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4

7630. 38854-10-3 1 1 1 Pyrrolidine, 1-(1-oxooctyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4

7631. 120042-35-5 0 1 0 Pyrrolidine, 1-(1-oxotridecyl)-2-(3-pyridinyl)-, (S)- XIII-1, XVII.B-4

7632. 61893-12-7 1 0 0 Pyrrolidine, 1-(2-furanylmethyl)- X-2, XVII.A-4

276


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7633. 115849-82-6 0 1 0 Pyrrolidine, 1-(3-hydroxy-10-methyl-1-oxododecyl)-2-(3-pyridinyl)-

II.A-5, XIII-1, XVII.B-4

7634. 115849-79-1 0 1 0 Pyrrolidine, 1-(3-hydroxy-10-methyl-1-oxoundecyl)-2-(3-pyridinyl)-


7635. 116353-95-8 0 1 0 Pyrrolidine, 1-(3-hydroxy-12-methyl-1-oxotetradecyl)-2-(3-pyridinyl)-


7636. 115849-84-8 0 1 0 Pyrrolidine, 1-(3-hydroxy-12-methyl-1-oxotridecyl)-2-(3-pyridinyl)-


7637. 120042-33-3 0 1 0 Pyrrolidine, 1-(3-hydroxy-14-methyl-1-oxopentadecyl)-2-(3-pyridinyl)-


7638. 115849-80-4 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxododecyl)-2-(3-pyridinyl)-


7639. 120042-32-2 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxohexadecyl)-2-(3-pyridinyl)-


7640. 120042-34-4 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxopentadecyl)-2-(3-pyridinyl)-


7641. 115849-85-9 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxotetradecyl)-2-(3-pyridinyl)-


7642. 115849-83-7 0 1 0 Pyrrolidine, 1-(3-hydroxy-1-oxotridecyl)-2-(3-pyridinyl)-


7643. 60026-17-7 0 1 0 Pyrrolidine, 1-(3-methyl-1-oxobutyl)- XIII-1, XVII.A-4

7644. 1 0 0 Pyrrolidine, 1-(3-pyridinemethyl)-2-cyano- XVII.A-4

7645. 96552-73-7 1 0 0 Pyrrolidine, 1-(4-methyl-1-oxohexyl)-2-(3-pyridinyl)- XIII-1, XVII.B-4

7646. 77829-17-5 0 1 0 Pyrrolidine, 1-(6-hydroxy-1-oxooctyl)-2-(3-pyridinyl)- XIII-1, XVII.B-4

7647. 96574-02-6 1 0 0 Pyrrolidine, 1-(6-methyl-1-oxoheptyl)-2-(3-pyridinyl)-, (S)-

XIII-1, XVII.B-4

7648. 77829-18-6 0 1 0 Pyrrolidine, 1-(7-hydroxy-1-oxooctyl)-2-(3-pyridinyl)- XIII-1, XVII.B-4

7649. 61480-99-7 1 0 0 Pyrrolidine, 1-[(5-methyl-2-furanyl)methyl]- XVII.A-4

7650. 69730-92-3 0 1 0 Pyrrolidine, 1-[4-(dimethylamino)-1-oxobutyl]-2-(3-pyridinyl)-, (S)-

XII-2, XIII-1, XVII.B-4

7651. 1 0 0 Pyrrolidine, 2-acetyloxy-methyl- V-3, XVII.A-4

7652. 13603-04-8 1 0 0 Pyrrolidine, 2,4-dimethyl- XVII.A-4

7653. 3378-71-0 1 0 0 Pyrrolidine, 2,5-dimethyl- XVII.A-4

7654. 1003-28-7 1 0 0 Pyrrolidine, 2-ethyl- XVII.A-4



7657. 28882-68-0 1 0 0 Pyrrolidinecarboxylic acid IV.A-3, XVII.A-4

7658. 32389-40-5 0 1 0 Pyrrolidinecarboxylic acid, oxo-, (S)- III-13, IV.A-3, XVII.A-4

7659. 29134-29-0 1 0 0 1-Pyrrolidineacetonitrile XI-2, XVII.A-4

7660. 3760-54-1 1 1 1 1-Pyrrolidinecarboxaldehyde III-12, XVII.A-4

7661. 78914-62-2 1 0 0 1-Pyrrolidinecarboxaldehyde, 2-methyl-, (R)- III-12, XVII.A-4

7662. 38840-03-8

3000-81-5

1 1 1 1-Pyrrolidinecarboxaldehyde, 2-(3-pyridinyl)-, (S)- {N’-formylnornicotine}

III-12, XVII.B-4, XXI-3

7663. 69730-90-1 0 1 0 1-Pyrrolidinecarboxylic acid, 2-(3-pyridinyl)-, ethyl ester, (S)-

V-3, XVII.B-4

7664. 56078-08-1 1 1 1 1-Pyrrolidinecarboxylic acid, 2-(3-pyridinyl)-, methyl ester, (S)-

V-3, XVII.B-4

277


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7665. 56879-46-0 0 1 0 2-Pyrrolidineacetic acid IV.A-3, XVII.A-4

7666. 0 1 0 2-Pyrrolidineacetic acid, 1-nitroso- IV.A-3, XV-8, XVII.A-4

7667. 61480-98-6 0 1 0 2-Pyrrolidinecarboxaldehyde III-12, XVII.A-4

7668. 28115-37-9 1 0 0 2-Pyrrolidinemethanol, 5-methyl-, cis- II.A-5, XVII.A-4

7669. 14498-44-3 1 0 0 2-Pyrrolidinepropanol, 1-methyl- II.A-5, XVII.A-4

7670. 60026-15-5 0 1 0 3-Pyrrolidinecarboxaldehyde, 2-methyl- III-12, XVII.A-4

7671. 121197-25-9 1 0 0 2,4-Pyrrolidinedione, 3-butyl-5-propylidene- III-13, XVII.A-4

7672. 121197-20-4 1 0 0 2,4-Pyrrolidinedione, 5-butyl-3-propylidene- III-13, XVII.A-4

7673. 121197-28-2 1 0 0 2,4-Pyrrolidinedione, 3-butylidene-5-(2-methylpropyl)-

III-13, XVII.A-4

7674. 121197-18-0 1 0 0 2,4-Pyrrolidinedione, 3-butylidene-5-propyl- III-13, XVII.A-4

7675. 121197-17-9 1 0 0 2,4-Pyrrolidinedione, 5-(2-methylpropyl)-3-(2-methylpropylidene)-

III-13, XVII.A-4

7676. 121197-22-6 1 0 0 2,4-Pyrrolidinedione, 5-(2-methylpropyl)-3-propylidene-

III-13, XVII.A-4

7677. 121197-19-1 1 0 0 2,4-Pyrrolidinedione, 3-(2-methylpropylidene)-5-propyl-

III-13, XVII.A-4

7678. 121197-15-7 1 0 0 2,4-Pyrrolidinedione, 5-propyl-3-propylidene- III-13, XVII.A-4

7679. 123-56-8 1 1 1 2,5-Pyrrolidinedione {succinimide}

O ONH

1 2

34

5

XIV-1, XVII.A-4

7680. 15542-96-8 1 0 0 2,5-Pyrrolidinedione, 1,3-dimethyl- XIV-1, XVII.A-4

7681. 33425-47-7 1 0 0 2,5-Pyrrolidinedione, 3,4-dimethyl- XIV-1, XVII.A-4

7682. 5835-19-8

58467-27-9

1 0 0 2,5-Pyrrolidinedione, 3-ethyl- XIV-1, XVII.A-4

7683. 1 0 0 2,5-Pyrrolidinedione, ethyl-methyl- XIV-1, XVII.A-4

7684. 15542-97-9 1 1 1 2,5-Pyrrolidinedione, 3-ethyl-1-methyl- XIV-1, XVII.A-4

7685. 77-67-8 1 1 1 2,5-Pyrrolidinedione, 3-ethyl-3-methyl- XIV-1, XVII.A-4

7686. 1 1 1 2,5-Pyrrolidinedione, 3-ethyl-4-methyl- XIV-1, XVII.A-4

7687. 16824-61-6 1 1 1 2,5-Pyrrolidinedione, 3-ethyl-4-methyl-, (Z)- XIV-1, XVII.A-4

7688. 1 0 0 2,5-Pyrrolidinedione, 3-ethylene-4-methyl- XIV-1, XVII.A-4

7689. 14156-12-8 1 0 0 2,5-Pyrrolidinedione, 3-ethylidene- XIV-1, XVII.A-4

7690. 61892-74-8 1 0 0 2,5-Pyrrolidinedione, 3-ethylidene-1-methyl- XIV-1, XVII.A-4

7691. 16395-79-2 1 1 1 2,5-Pyrrolidinedione, 3-ethylidene-4-methyl- XIV-1, XVII.A-4

7692. 18366-19-3 1 0 0 2,5-Pyrrolidinedione, 3-hydroxy- (S) II.A-5, XIV-1, XVII.A-4

7693. 1121-07-9 1 1 1 2,5-Pyrrolidinedione, 1-methyl- XIV-1, XVII.A-4

7694. 5615-90-7 1 1 1 2,5-Pyrrolidinedione, 3-methyl- XIV-1, XVII.A-4

7695. 72693-03-9 1 0 0 2,5-Pyrrolidinedione, 3-(1-methylethyl)- XIV-1, XVII.A-4

7696. 15542-99-1 1 0 0 2,5-Pyrrolidinedione,1-methyl-3-(1-methylethyl)- XIV-1, XVII.A-4

7697. 71099-03-1 1 1 1 2,5-Pyrrolidinedione, 1,3,4-trimethyl- XIV-1, XVII.A-4

7698. 25110-79-6 1 0 0 2-Pyrrolidinol, 1-methyl-5-(3-pyridinyl)- XVII.B-4

7699. 28261-54-3 1 0 0 Pyrrolidinone XVII.A-4

278


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7700. 616-45-5 1 1 1 2-Pyrrolidinone {γ-butyrolactam}

NH

O12

34

5

XVII.A-4, XVII.C-1

7701. 1 0 0 2-Pyrrolidinone, 1,?-dimethyl- XVII.A-4, XVII.C-1

7702. 872-50-4 1 1 1 2-Pyrrolidinone, 1-methyl- XVII.A-4, XVII.C-1




7706. 75202-09-4 1 0 0 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)- XVII.B-4, XVII.C-1

7707. 486-56-6 1 1 1 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)- {cotinine}

N

NO

CH3

XVII.B-4, XVII.C-1

7708. 1 0 0 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, 1-oxide {cotinine 1-oxide}

XVII.B-4, XVII.C-1

7709. 61892-90-8 1 0 0 2-Pyrrolidinone, 1-(2-oxopropyl)- XVII.A-4, XVII.C-1

7710. 5980-06-3 1 0 0 2-Pyrrolidinone, 5-(3-pyridinyl)-, (S)- {norcotinine}

XVII.B-4, XVII.C-1

7711. 98-79-3 0 1 0 5-Pyrrolidinone-2-carboxylic acid {5-oxoproline} IV.A-3, XVII.A-4, XVII.C-1

ONH

COOH

7712. 61892-89-5 1 0 0 3-Pyrrolidinone, 1-methyl-5-(2-oxopropyl)- XVII.A-4

7713. 18028-53-0 1 0 0 2H-Pyrrolium, 3,4-dihydro-1-methyl-, chloride XVII.A-4, XVIII.B-3

7714. 17266-64-7 1 0 0 1H-Pyrrolizin-1-one, 2,3-dihydro-

N

O

III-13

7715. 13939-91-8 1 0 0 1H-Pyrrolo[1,2-c]imidazole-1,3(2H)-dione

N

O

O

N-H

XIV-1

7716. 5768-79-6 1 0 0 1H-Pyrrolo[1,2-c]imidazole-1,3(2H)-dione, tetrahydro-

N

O

O

N-H

XIV-1

7717. 54036-77-0 1 0 0 2H-Pyrrol-2-one XVII.A-4, XVII.C-1

7718. 62003-47-8 1 0 0 2H-Pyrrol-2-one, 1,3-dihydro-5-(3-pyridinyl)- XVII.B-4, XVII.C-1

7719. 4031-15-6 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro- XVII.A-4, XVII.C-1

7720. 13950-21-5 0 1 0 2H-Pyrrol-2-one, 1,5-dihydro-1-methyl- XVII.A-4, XVII.C-1

7721. 78210-72-7 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-5-(1-methylethylidene)-

XVII.A-4, XVII.C-1

7722. 4030-23-3 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3,4,5-trimethyl- XVII.A-4, XVII.C-1

7723. 4030-22-2 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3,4-dimethyl- XVII.A-4, XVII.C-1

7724. 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3,5-dimethyl- XVII.A-4, XVII.C-1

279


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7725. 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3,5-dimethyl-4-ethyl- XVII.A-4, XVII.C-1

7726. 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-4,5-dimethyl-3-ethyl- XVII.A-4, XVII.C-1

7727. 27406-77-5 1 0 0 2H-Pyrrol-2-one, 1,5-dihydro-3-methyl- XVII.A-4, XVII.C-1

7728. 61892-80-6 1 0 0 2H-Pyrrol-2-one, 1-acetyl-3-ethyl-1,5-dihydro-4-methyl-

XVII.A-4, XVII.C-1

7729. 766-36-9 1 0 0 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl- XVII.A-4, XVII.C-1

7730. 78210-71-6 1 0 0 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-5-methylene- XVII.A-4, XVII.C-1

7731. 115600-67-4 1 0 0 2H-Pyrrol-2-one, 4-ethyl-1,5-dihydro- XVII.A-4, XVII.C-1

7732. 4030-24-4 1 0 0 2H-Pyrrol-2-one, 4-ethyl-1,5-dihydro-3,5-dimethyl- XVII.A-4, XVII.C-1

7733. 766-45-0 1 0 0 2H-Pyrrol-2-one, 4-ethyl-1,5-dihydro-3-methyl- XVII.A-4, XVII.C-1

7734. 60026-28-0 0 1 0 1H-Pyrrolo[2,1-c][1,4]oxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-4-(phenylmethyl)-

CHO

O

O

N

CH2

III-12, VI-3, XVII.D-2

7735. 35674-33-0 0 1 0 1H-Pyrrolo[2,1-c][1,4]oxazine-6-carboxaldehyde, 3,4-dihydro-4-methyl-3-oxo-

CHO

CH3

O

O

N

III-12, VI-3, XVII.D-2

7736. 274-45-3 1 0 0 Pyrrolo[1,2-a]pyrazine

N

N

XVII.E-6

7737. 19179-12-5 1 0 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro- XVII.C-1

7738. 19943-28-3 1 0 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-methyl-, (3R-trans)-

XVII.C-1

7739. 5654-86-4 1 0 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-

XVII.C-1

7740. 26626-89-1 1 0 0 Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-propyl-, (3S-trans)-

XVII.C-1

7741. 1 0 0 Pyrrolo[1,2-a]pyridine XVII.E-6

7742. 271-63-6 1 0 0 1H-Pyrrolo[2,3-b]pyridine {7-azaindole}

N NH

XVII.E-6

7743. 1 0 0 1H-Pyrrolo[2,3-b]pyridine, C3-alkyl- XVII.E-6

7744. 1 0 0 1H-Pyrrolo[2,3-b]pyridine, diethyl- XVII.E-6

7745. 78249-85-1 1 0 0 1H-Pyrrolo[2,3-b]pyridine, ethyl- XVII.E-6

7746. 72692-80-9 1 0 0 1H-Pyrrolo[2,3-b]pyridine, methyl-

{at least 4 methyl isomers other than the 1- and 2- methyl- compounds}

XVII.E-6

7747. 27257-15-4 1 0 0 1H-Pyrrolo[2,3-b]pyridine, 1-methyl- XVII.E-6

7748. 23612-48-8 1 0 0 1H-Pyrrolo[2,3-b]pyridine, 2-methyl- XVII.E-6

7749. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, diethyl- XVII.E-6

7750. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, dimethyl- XVII.E-6

7751. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, ethyl-methyl- XVII.E-6

7752. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, (1-methylethyl)- XVII.E-6

280


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7753. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, methyl-(1-methylethyl)- XVII.E-6

7754. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, pentamethyl- XVII.E-6

7755. 1 0 0 1H-Pyrrolo[2,3-g]pyridine, trimethyl- XVII.E-6

7756. 1 0 0 Pyrroloquinoline XVII.E-6

7757. 1 0 0 Pyrroloquinoline, dimethyl- XVII.E-6

7758. 1 0 0 Pyrroloquinoline, methyl- XVII.E-6

7759. 1 0 0 Pyrroloquinoline, trimethyl- XVII.E-6

7760. 268-91-7 1 0 0 1H-Pyrrolo[2,3-b]quinoline

N NH

XVII.E-6

7761. 33-36-3 1 0 0 1H-Pyrrolo[2,3-f]quinoline

N

HN

XVII.E-6

7762. 232-85-9 1 0 0 3H-Pyrrolo[3,2-f]quinoline NH

N

XVII.E-6

7763. 29036-02-0 1 0 0 Quaterphenyl I.D-1

7764. 253-82-7 1 0 0 Quinazoline {1,3-benzodiazine}

XVII.E-6

7765. 64811-59-2 1 0 0 Quinazoline, dihydro- XVII.E-6

7766. 64828-47-3 1 0 0 Quinazoline, ethyl- XVII.E-6

7767. 64828-48-4 1 0 0 Quinazoline, methyl- XVII.E-6

7768. 700-46-9 1 0 0 Quinazoline, 4-methyl- XVII.E-6

7769. 580-22-3 1 0 0 2-Quinolinamine XII-2

7770. 91-22-5 1 1 1 Quinoline {1-azanaphthalene}

XVII.E-6

7771. 1 0 0 Quinoline, C3-alkyl- XVII.E-6

7772. 1 0 0 Quinoline, alkyl-2-methyl- XVII.E-6



7775. 611-34-7 1 0 0 Quinoline, 5-amino- XII-2

7776. 0 1 0 Quinoline, 5-amino-6,8-dimethoxy- X-2, XII-2

7777. 0 1 0 Quinoline, 5-amino-2-hydroxymethyl-6-methoxy- II.A-5, X-2, XII-2

7778. 53452-65-6 1 0 0 Quinoline, butyl- XVII.E-6

7779. 29968-14-7 1 0 0 Quinoline, dihydro- XVII.E-6

7780. 65312-76-7 1 0 0 Quinoline, dihydroethyl- XVII.E-6

7781. 65312-78-9 1 0 0 Quinoline, dihydromethyl- XVII.E-6

7782. 28351-04-4 1 0 0 Quinoline, dimethyl- XVII.E-6

7783. 26190-82-9 1 0 0 Quinoline, 2,5-dimethyl- XVII.E-6

281


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Chapter

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7786. 1 0 0 Quinoline, 3.6-dimethyl- XVII.E-6


7788. 53123-73-2 1 0 0 Quinoline, ethyl- XVII.E-6

7789. 1613-34-9 1 0 0 Quinoline, 2-ethyl- XVII.E-6

7790. 19020-26-9 1 0 0 Quinoline, 4-ethyl- XVII.E-6

7791. 78249-84-0 1 0 0 Quinoline, ethyl-5,6,7,8-tetrahydro- XVII.E-6

7792. 56717-33-0 1 0 0 Quinoline, 2-ethyl-5,6,7,8-tetrahydro- XVII.E-6

7793. 27601-00-9 1 0 0 Quinoline, methyl- XVII.E-6

7794. 65312-74-5 1 0 0 Quinoline, methyltetrahydro- XVII.E-6

7795. 78249-82-8 1 0 0 Quinoline, methyl-1,2,3,4-tetrahydro-

{several isomers present in MSS}

XVII.E-6

7796. 78249-83-9 1 0 0 Quinoline, methyl-5,6,7,8-tetrahydro- XVII.E-6

7797. 91-63-4 1 0 0 Quinoline, 2-methyl- XVII.E-6

7798. 2617-98-3 1 0 0 Quinoline, 2-methyl-5,6,7,8-tetrahydro- XVII.E-6







7805. 1333-53-5 1 0 0 Quinoline, (1-methylethyl)- XVII.E-6

7806. 64828-52-0 1 0 0 Quinoline, propyl- XVII.E-6

7807. 29832-78-8 1 0 0 Quinoline, tetrahydro- XVII.E-6

7808. 635-46-1 1 0 0 Quinoline, 1,2,3,4-tetrahydro- XVII.E-6

7809. 10500-57-9 1 0 0 Quinoline, 5,6,7,8-tetrahydro- XVII.E-6

7810. 76602-27-2 1 0 0 Quinoline, tetramethyl- XVII.E-6

7811. 51366-52-0 1 0 0 Quinoline, trimethyl- XVII.E-6

7812. 4945-28-2 1 0 0 Quinoline, 2,3,8-trimethyl- XVII.E-6

7813. 2739-16-4 0 1 0 1(2H)-Quinolinecarboxaldehyde, 3,4-dihydro- III-12

7814. 4363-93-3 0 1 0 4-Quinolinecarboxaldehyde III-12

7815. 64850-00-6 1 0 0 Quinolinecarbonitrile XI-2

7816. 59551-02-9 1 0 0 5-Quinolinecarbonitrile XI-2



7819. 3778-29-8 0 1 0 2-Quinolinecarboxylic acid, 4,6-dihydroxy-

{6-hydroxykynurenic acid}

IV.A-3, IX.A-22

7820. 0 1 0 2,3-Quinolinedicarboxylic acid IV.A-3

282


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7821. 148-24-3 1 0 0 8-Quinolinol

N

OH

IX.A-22

7822. 13207-66-4 0 1 0 8-Quinolinol, 5-amino- IX.A-22, XII-2

7823. 5541-68-4 1 0 0 8-Quinolinol, 7-methyl- IX.A-22

7824. 91-19-0 1 0 0 Quinoxaline {1,4-benzodiazine}

XVII.E-6

7825. 64811-58-1 1 0 0 Quinoxaline, dihydro- XVII.E-6

7826. 72692-77-4 1 0 0 Quinoxaline, dimethyl- XVII.E-6

7827. 64828-46-2 1 0 0 Quinoxaline, ethyl- XVII.E-6

7828. 64828-56-4 1 0 0 Quinoxaline, methyl- XVII.E-6

7829. 7251-61-8 1 0 0 Quinoxaline, 2-methyl- XVII.E-6

7830. 38917-65-6 1 0 0 Quinoxaline, 2-methyl- 5,6,7,8-tetrahydro- XVII.E-6

7831. 13708-12-8 0 1 0 Quinoxaline, 5-methyl- XVII.E-6

7832. 34413-35-9 1 1 1 Quinoxaline, 5,6,7,8-tetrahydro- XVII.E-6

7833. 72692-78-5 1 0 0 Quinoxaline, trimethyl- XVII.E-6

7834. 1 0 0 Radicals, free {GENERAL DISCUSSION} XXVII-1

7835. 13982-63-3 1 1 1 Radium, isotope of mass 226 226

Ra XX-5

7836. 10043-92-2 1 0 0 Radon Rn XX-5

7837. 14859-67-7 1 1 1 Radon, isotope of mass 222 226

Rn XX-5

7838. 9037-80-3 0 1 0 Reductase XXII-2

7839. 9028-31-3 0 1 0 Reductase, aldose XXII-2

7840. 9023-03-4 0 1 0 Reductase, cytochrome c (reduced nicotinamide adenine dinucleotide phosphate)

XXII-2

7841. 37256-44-3 0 1 0 Reductase, ferredoxin-nitrite XXII-2

7842. 9001-48-3 0 1 0 Reductase, glutathione XXII-2

7843. 9028-32-4 0 1 0 Reductase, glyoxylate XXII-2

7844. 9032-06-8 0 1 0 Reductase, hydroxylamine XXII-2

7845. 9028-35-7 0 1 0 Reductase, hydroxymethylglutaryl coenzyme A (reduced nicotinamide adenine dinucleotide phosphate)

XXII-2

7846. 9013-03-0 0 1 0 Reductase, nitrate XXII-2

7847. 9029-27-0 0 1 0 Reductase, nitrate (reduced nicotinamide adenine dinucleotide (phosphate))

XXII-2

7848. 9080-03-9 0 1 0 Reductase, nitrite XXII-2

7849. 9029-29-2 0 1 0 Reductase, nitrite (reduced nicotinamide adenine dinucleotide (phosphate))

XXII-2

7850. 9029-17-8 0 1 0 Reductase, pyrroline-5-carboxylate XXII-2

7851. 51848-43-2 0 1 0 Retine XXII-2

7852. 0 1 0 Rhamnitol H3C-(CHOH)4-CH2OH II.A-5

7853. 0 1 0 Rhamnitol, 2,4-di-O-methyl- II.A-5, X-2

7854. 0 1 0 Rhamnitol, 3,4-di-O-methyl- II.A-5, X-2

283


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Selected structures

Chapter

Table

7855. 0 1 0 Rhamnitol, 3-O-methyl- II.A-5, X-2

7856. 0 1 0 Rhamnitol, 2,3,4-tri-O-methyl- II.A-5, X-2

7857. 7440-15-5 1 1 1 Rhenium Re XX-5

7858. 7440-16-6 1 1 1 Rhodium Rh XX-5

7859. 83-88-5 0 1 0 Riboflavin HO

HOOH

OH

O

O

N

N N

NH

H3C

H3C

II.A-5, XVII.C-1

7860. 146-17-8 0 1 0 Riboflavin 5'-(dihydrogen phosphate) II.A-5, XVII.C-1

7861. 106777-19-9 0 1 0 D-Ribonic acid, 2-C-[(phosphonooxy)methyl]- II.A-5

7862. 27442-42-8 0 1 0 D-Ribonic acid, 2-C-[(phosphonooxy)methyl]-, 5-(dihydrogen phosphate)

II.A-5

7863. 0 1 0 Ribonucleic acid XXII-2

7864. 9067-16-7 0 1 0 Ribonucleic acid (Bombyx mori fibroin-specifying messenger)

XXII-2

7865. 139872-63-2 0 1 0 Ribonucleic acid (tobacco clone .lambda.5A gene RB7 protein-specifying 1524-nucleotide messenger)

XXII-2

7866. 139872-64-3 0 1 0 Ribonucleic acid (tobacco clone .lambda.5A gene RB7 protein-specifying 1549-nucleotide messenger)

XXII-2

7867. 128285-01-8 0 1 0 Ribonucleic acid (tobacco clone .lambda.CHN17 chitinase basic isoenzyme-specifying messenger)

XXII-2

7868. 9014-25-9 0 1 0 Ribonucleic acids, transfer XXII-2

7869. 3615-55-2 0 1 0 Ribose, 5-(dihydrogen phosphate) II.A-5, III-12

7870. 50-69-1 0 1 0 D-Ribose HO-H2C

OH

HO OH

O

II.A-5, III-12

7871. 533-67-5 0 1 0 D-Ribose, 2-deoxy- II.A-5, III-12

7872. 24259-59-4 0 1 0 L-Ribose II.A-5, III-12

7873. 197-61-5 1 0 0 Rubicene

I.E-6

7874. 7440-17-7 1 1 1 Rubidium Rb XX-5

7875. 22537-38-8 0 1 0 Rubidium, ion Rb+1

XX-5

7876. 7440-18-8 1 1 1 Ruthenium Ru XX-5

7877. 7440-19-9 1 1 1 Samarium Sa XX-5

7878. 129990-04-1 0 1 0 Saponin B, from tobacco

7879. 7440-20-2 1 1 1 Scandium Sc XX-5

7880. 13967-63-0 1 1 1 Scandium, isotope of mass 46 46

Sc XX-5

7881. 14391-97-0 0 1 0 Scandium, isotope of mass 49 49

Sc XX-5

284


CAS No.

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Selected structures

Chapter

Table

7882. 7782-49-2 1 1 1 Selenium Se XX-5

7883. 14265-71-5 1 1 1 Selenium, isotope of mass 75 75

Se XX-5

7884. 6898-95-9 1 1 1 Serine HO-CH2-CH(NH2)-COOH

II.A-5, IV.A-3, IV.B-7, XII-2

7885. 35688-48-3 0 1 0 D-Serine, N-(carboxyacetyl)- II.A-5, IV.A-3, IV.B-7, XII-2

7886. 56-45-1 0 1 0 L-Serine II.A-5, IV.A-3, IV.B-7, XII-2

7887. 5147-00-2 0 1 0 L-Serine, acetate (ester) H3C-COO-CH2-CH(NH2)-COOH

IV.A-3, IV.B-7, V-3, XII-2

7888. 5692-15-9 0 1 0 L-Serine, labeled with 14

C IV.A-3, IV.B-7, XII-2

7889. 142785-07-7 0 1 0 L-Serine, L-alanyl-L-prolyl-L-isoleucyl-L-prolylglycyl-L-valyl-L-methionyl-L-prolyl-L-isoleucylglycyl-L-asparaginyl-L-tyrosyl-L-valyl-

IV.A-3, IV.B-7, XIII-1

7890. 146440-48-4 0 1 0 L-Serine, L-methionyl-L-alanyl-L-lysyl-L-alanyl-L-leucyl-L-valyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-leucyl-L-seryl-L-valyl-L-leucyl-L-leucyl-L-leucyl-L-seryl-L-seryl-L-phenylalanyl-L-threonyl-L-valyl-L-valyl-L-leucyl-

IV.A-3, IV.B-7, XIII-1

7891. 7631-86-9 1 1 1 Silica SiO2 XX-5

7892. 19088-13-2 0 1 0 Silicic acid, aluminum salt Al2(SiO3)3 XX-6

7893. 7440-21-3 1 1 1 Silicon Si XX-5

7894. 12141-45-6 1 0 0 Sillimanite Al2O(SiO4) XX-6

7895. 7440-22-4 1 1 1 Silver Ag XX-5

7896. 14391-76-5 1 1 1 Silver, isotope of mass 110 110

Ag XX-5

7897. 7440-23-5 1 1 1 Sodium Na XX-5

7898. 7647-14-5 0 1 0 Sodium chloride NaCl XX-6

7899. 1310-73-2 0 1 0 Sodium hydroxide NaOH XX-6

7900. 1313-59-3 0 1 0 Sodium oxide Na2O XX-6

7901. 17341-25-2 0 1 0 Sodium, ion Na+1

XX-5

7902. 16759-28-7 0 1 0 Sodium, isotope mass 24 24

Na XX-5

7903. 62574-27-0 0 1 0 Spiro[4.5]dec-6-en-8-one, 2-[1-[(β-D-glucopyranosyloxy)methyl]ethenyl]-6,10-dimethyl-

O

CH3

CH2

2

3

4

5

67

8

910

1

CH3

OGlu

II.A-5, III-13

7904. 62574-29-2 0 1 0 Spiro[4.5]dec-6-en-8-one, 2-[2-(β-D-glucopyranosyloxy)-1-hydroxy-1-methylethyl]-6,10-dimethyl-

O

CH3

2

3

4

5

67

8

910

1

CH3

CH3

OHGluO

II.A-5, III-13

7905. 62623-87-4 0 1 0 Spiro[4.5]dec-6-en-8-one, 2-[2-(β-D-glucopyranosyloxy)-1-hydroxy-1-methylethyl]-6,10-dimethyl-

II.A-5, III-13

285


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Selected structures

Chapter

Table

7906. 54878-25-0 0 1 0 Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-2-(1-

methylethenyl)-, [2R-[2α,5α(R*)]]-

CH3

CH2

H3C

CH3

O

III-13

7907. 0 1 0 Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-3-hydroxy-2-(1-methylethyl)-

II.A-5, III-13

7908. 18444-79-6 0 1 0 Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-, (5R-cis)-

III-13

7909. 62574-25-8 0 1 0 Spiro[4.5]dec-6-en-8-one, 9-(β-D-glucopyranosyloxy)-6,10-dimethyl-2-(1-

methylethenyl)-, [5S-[5α(S*),9α,10β]]-

O

CH3

H3C

CH2

GluO2

3

4

5

67

8

910

1

CH3

II.A-5, III-13

7910. 62623-88-5 0 1 0 Spiro[4.5]dec-6-en-8-one, 9-hydroxy-6,10-dimethyl-

2-(1-methylethenyl)-, [5S-[5α(S*),9α,10β]]-

O

CH3

2

3

4

5

67

8

910

1

CH3

HO

CH2

H3C

II.A-5, III-13

7911. 55784-90-2 0 1 0 Spiro[4.5]decane-6-carboxaldehyde, 8,9-dihydroxy-10-methyl-2-(1-methylethenyl)-, [5S-

[5α(S*),6β,8β,9α,10β]]- CH3

2

3

4

5

67

8

910

1

CH2

H3C

CH=OHO

HO

II.A-5, III-12

7912. 35951-50-9 0 1 0 Spiro[4.5]decane-6-carboxaldehyde, 8-hydroxy-10-methyl-2-(1-methylethenyl)-, [5S-

[5α(S*),6β,8β,10β]]-

CH3

2

3

4

5

67

8

910

1

CH2

H3C

CH=OHO

II.A-5, III-12

7913. 162188-94-5 0 1 0 Spiro[benzofuran-6(2H),2'-[1,3]dioxolan]-2-one,

4,5,7,7a-tetrahydro-4,4,7a-trimethyl-, (±)-

X-2

7914. 5989-24-2 0 1 0 Spiro[furan-2(3H),2'(1'H)-naphtho[2,1-b]furan]-5(4H)-one, decahydro-3,3'a,6',6',9'a-pentamethyl-

{α-levantenolide}

O

O

O

H3C CH3

CH3

CH3

H3C

.......

VI-3, X-2

7915. 30987-48-5 0 1 0 Spiro[furan-2(5H),2'(1'H)-naphtho[2,1-b]furan]-5-one, 3'a,4',5',5'a,6',7',8',9',9'a,9'b-decahydro-3,3'a,6',6',9'a-pentamethyl-, [2'S-

(2'α,3'aα,5'aβ,9'aα,9'bβ)]- {β-levantenolide} O

H3C CH3

CH3

CH3

CH3

O

O

.......

VI-3, X-2

286


CAS No.

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Selected structures

Chapter

Table

7916. 0 1 0 Spiro[furan-2(5H),2'(1'H)-naphtho[2,1-b]furan]-5-one, dodecahydro-3,3'a,6',6',9'a-pentamethyl-

{α2-levantanolide}

CH3H3C

CH3O

CH3

O

CH3

O

VI-3, X-2

7917. 9005-25-8 0 1 0 Starch VIII-3

7918. 39341-47-4 0 1 0 Starch, labeled with 13

C, labeled with 13

C {starch-

13C}

VIII-3

7919. 70226-57-2 0 1 0 Starch, labeled with 14

C, labeled with 14

C {starch-

14C}

VIII-3, XXV-29

7920. 83-46-5 1 1 1 Stigmast-5-en-3-ol, (3β)- {β-sitosterol} II.B-2

HC-CH2CH2-CHCH=(CH3)2

CH3

HO

H3C

H3C

CH2CH3

7921. 83-47-6 1 1 1 Stigmast-5-en-3-ol, (3β, 24S))- {γ-sitosterol} II.B-2

7922. 3177-92-2 1 1 1 Stigmast-5-en-3-ol, 9,12,15-octadecatrienoate,

[3β(9Z,12Z,15Z)]- {β-sitosteryl linolenate}

V-3

7923. 3577-13-7 1 1 1 Stigmast-5-en-3-ol, 9,12-octadecadienoate,

[3β(Z,Z)]- {β-sitosteryl linoleate}

V-3

7924. 3712-16-1 1 1 1 Stigmast-5-en-3-ol, 9-octadecenoate, [3β(Z)]-

{β-sitosteryl oleate}

V-3

7925. 41005-65-6 1 1 1 Stigmast-5-en-3-ol, dodecanoate, (3β)-

{β-sitosteryl laurate}

V-3

7926. 2308-85-2 1 1 1 Stigmast-5-en-3-ol, hexadecanoate, (3β)-

{β-sitosteryl palmitate}

V-3

7927. 34137-25-2 1 1 1 Stigmast-5-en-3-ol, octadecanoate, (3β)-

{β-sitosteryl stearate}

V-3

7928. 10473-40-2 1 1 1 Stigmast-5-en-3-ol, tetradecanoate, (3β)-

{β-sitosteryl myristate}

V-3

7929. 6869-99-4 0 1 0 Stigmast-7-en-3-ol, (3β)- II.B-2

7930. 521-03-9 0 1 0 Stigmast-7-en-3-ol, (3β,5α)- II.B-2

7931. 102491-96-3 1 1 1 Stigmasta-3,5,22-triene, (22E)- I.C-1

7932. 81531-12-6 1 1 1 Stigmasta-3,5,22-triene, (22E,24ξ)- I.C-1

7933. 86709-50-4 1 1 1 Stigmasta-3,5,24(28)-triene I.C-1

7934. 79897-80-6 1 1 1 Stigmasta-3,5-diene, (24ξ)- I.C-1

R

R = -CH=CH-CH(C2H5)-CH(CH3)2

287


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Selected structures

Chapter

Table

7935. 83-48-7 1 1 1 Stigmasta-5,22-dien-3-ol, (3β,22E)- {stigmasterol} II.B-2 CH3

CH3

CH3

H3C

HO

CH3

CH3

7936. 71607-87-9 1 1 1 Stigmasta-5,22-dien-3-ol, 9,12,15-

octadecatrienoate, [3β(Z,Z,Z),22E]- {stigmasteryl linolenate}

II.B-2

7937. 71278-15-4 1 1 1 Stigmasta-5,22-dien-3-ol, 9,12-octadecadienoate,

[3β(9Z,12Z),22E]-

{stigmasteryl linoleate}

V-3

7938. 31615-93-7 1 1 1 Stigmasta-5,22-dien-3-ol, 9-octadecenoate,

[3β(Z),22E]- {stigmasteryl oleate}

V-3

7939. 20242-97-1 1 1 1 Stigmasta-5,22-dien-3-ol, dodecanoate, (3β,22E)- {stigmasteryl laurate}

V-3

7940. 2308-84-1 1 1 1 Stigmasta-5,22-dien-3-ol, hexadecanoate, (3β,22E)- {stigmasteryl palmitate}

V-3

7941. 23838-16-6 1 1 1 Stigmasta-5,22-dien-3-ol, octadecanoate, (3β,22E)- {stigmasteryl stearate}

V-3

7942. 20242-98-2 1 1 1 Stigmasta-5,22-dien-3-ol, tetradecanoate, (3β,22E)- {stigmasteryl myristate}

V-3

7943. 18472-36-1 1 1 1 Stigmasta-5,24(28)-dien-3-ol, (3β)- II.B-2

7944. 17605-67-3 1 0 0 Stigmasta-5,24(28)-dien-3-ol, (3β,24E)- II.B-2

7945. 481-14-1 0 1 0 Stigmasta-5,24(28)-dien-3-ol, (3β,24Z)- II.B-2

7946. 2364-23-0 0 1 0 Stigmasta-5,25-dien-3-ol, (3β,24S)- II.B-2

7947. 7212-91-1 0 1 0 Stigmasta-7,24(28)-dien-3-ol, (3β,5α)- II.B-2

7948. 23290-26-8 0 1 0 Stigmasta-7,24(28)-dien-3-ol, (3β,5α,24Z)- II.B-2

7949. 474-40-8 1 1 1 Stigmasta-7,24(28)-dien-3-ol, 4-methyl-,

(3β,4α,5α,24Z)- {α-sitosterol}

II.B-2

HO

CH3

H3C

HC-CH2CH2-C=CH-CH3

CH3 CH=(CH3)2

H3C

7950. 120056-15-7 1 0 0 Stigmasta-7,24(28)-dien-3-ol, 4-methyl-, (3β,5α)- II.B-2

7951. 11040-28-1 1 1 1 Stigmasta-7,24(28)-dien-3-ol, 4-methyl-, (3β,5α)- II.B-2

7952. 34350-85-1 0 1 0 Stigmasta-8,14,24(28)-trien-3-ol, (3β,5α)- II.B-2

7953. 159169-58-1 0 1 0 Stigmasta-8,14,24(28)-trien-3-ol, 4-methyl-,

(3β,4α,5α)-

II.B-2

7954. 34347-65-4 0 1 0 Stigmasta-8,14-dien-3-ol, (3β,5α)- II.B-2

7955. 159169-57-0 0 1 0 Stigmasta-8,24(28)-dien-3-ol, 4,14-dimethyl-,

(3β,4α,5α)-

II.B-2

7956. 57-92-1 0 1 0 Streptomycin XXI-3

7957. 7440-24-6 1 1 1 Strontium Sr XX-5

288


CAS No.

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Selected structures

Chapter

Table

7958. 14158-27-1 0 1 0 Strontium, isotope of mass 89 89

Sr XX-5

7959. 10098-97-2 0 1 0 Strontium, isotope of mass 90 90

Sr XX-5

7960. 14808-79-8 1 1 1 Sulfate SO4-2 XVIII.A-1, XX-5

7961. 18496-25-8 1 1 1 Sulfide S-2 XVIII.A-1, XX-5

7962. 14265-45-3 1 1 1 Sulfite SO3-2 XVIII.A-1, XX-5

7963. 7704-34-9 1 1 1 Sulfur S XVIII.A-1, XX-5, XXI-3

7964. 7446-09-5 1 0 0 Sulfur dioxide SO2 XVIII.A-1

7965. 2551-62-4 0 1 0 Sulfur hexafluoride SF6 XVIII.B-3

7966. 7446-11-9 1 0 0 Sulfur trioxide S03 XVIII.A-1

7967. 7664-93-9 0 1 0 Sulfuric acid H2SO4 XVIII.A-1, XX-6, XXI-3

7968. 7778-80-5 0 1 0 Sulfuric acid, dipotassium salt K2SO4 XVIII.A-1, XX-6

7969. 7757-82-6 0 1 0 Sulfuric acid, disodium salt Na2SO4 XVIII.A-1, XX-6

7970. 7757-83-7 0 1 0 Sulfurous acid, disodium salt Na2SO3 XVIII.A-1, XX-6

7971. 7773-03-7 0 1 0 Sulfurous acid, monopotassium salt KHSO3 XVIII.A-1, XX-6

7972. 11062-77-4 1 0 0 Superoxide (anion radical) XXVII-1

7973. 72506-68-4 0 1 0 Synthase, 1-aminocyclopropanecarboxylate XXII-2

7974. 37211-77-1 0 1 0 Synthase, 5-dehydroquinate XXII-2

7975. 9068-73-9 0 1 0 Synthase, 5-enolpyruvoylshikimate 3-phosphate XXII-2

7976. 144324-42-5 0 1 0 Synthase, 5-enolpyruvoylshikimate 3-phosphate (petunia clone pMON9531/pMON9556 reduced) 101-L-alanine-

XXII-2

7977. 144324-43-6 0 1 0 Synthase, 5-enolpyruvoylshikimate 3-phosphate (petunia clone pMON9531/pMON9556 reduced) 101-L-alanine-192-L-threonine-

XXII-2

7978. 9027-45-6 0 1 0 Synthase, acetolactate XXII-2

7979. 9037-14-3 0 1 0 Synthase, aminolevulinate XXII-2

7980. 9031-59-8 0 1 0 Synthase, anthranilate XXII-2

7981. 37290-89-4 0 1 0 Synthase, cysteine XXII-2

7982. 9055-59-8 0 1 0 Synthase, dihydrodipicolinate XXII-2

7983. 56803-04-4 0 1 0 Synthase, flavanone XXII-2

7984. 9013-48-3 0 1 0 Synthase, malate XXII-2

7985. 108281-08-9 0 1 0 Synthase, mannopine XXII-2

7986. 131754-88-6 0 1 0 Synthase, nicotine XXII-2

7987. 9036-37-7 0 1 0 Synthase, porphobilinogen XXII-2

7988. 9023-35-2 0 1 0 Synthase, pseudouridylate XXII-2

7989. 9077-14-9 0 1 0 Synthase, squalene XXII-2

7990. 9014-52-2 0 1 0 Synthase, tryptophan XXII-2

7991. 9031-56-5 0 1 0 Synthetase XXII-2

7992. 37205-63-3 0 1 0 Synthetase, adenosine triphosphate XXII-2

7993. 9028-02-8 0 1 0 Synthetase, aminoacyl-transfer ribonucleate XXII-2

7994. 0 1 0 Synthetase, aminolevulinate XXII-2

289


CAS No.

S

T

S

T


Selected structures

Chapter

Table

7995. 37205-35-9 0 1 0 Synthetase, arginyl-transfer ribonucleate XXII-2

7996. 37332-51-7 0 1 0 Synthetase, p-coumaroyl coenzyme A XXII-2

7997. 0 1 0 Synthetase, dehydroquinate XXII-2

7998. 9023-70-5 0 1 0 Synthetase, glutamine XXII-2

7999. 147626-93-5 0 1 0 Synthetase, glutamine (tobacco clone pcGS2-17 isoenzyme 2 subunit precursor reduced)

XXII-2

8000. 9068-76-2 0 1 0 Synthetase, glutamyl-transfer ribonucleate XXII-2

8001. 39341-90-7 0 1 0 Synthetase, indoleacetate XXII-2

8002. 9031-15-6 0 1 0 Synthetase, leucyl-transfer ribonucleate XXII-2

8003. 0 1 0 Synthetase, methenyl tetrahydrofolate XXII-2

8004. 9014-36-2 0 1 0 Synthetase, succinyl coenzyme A (guanosine diphosphate-forming)

XXII-2

8005. 9023-47-6 0 1 0 Synthetase, valyl-transfer ribonucleate XXII-2

8006. 71010-48-5 0 1 0 α-Tabacenic acid IV.A-3

8007. 71010-46-3 0 1 0 β-Tabacenic acid IV.A-3

8008. 71010-47-4 0 1 0 γ-Tabacenic acid IV.A-3

8009. 1401-55-4 0 1 0 Tannins {tannic acid} IV.A-3

8010. 7440-25-7 1 1 1 Tantalum Ta XX-5

8011. 13494-80-9 1 1 1 Tellurium Te XX-5

8012. 7440-27-9 0 1 0 Terbium Tb XX-5

8013. 1 0 0 Tergitol ether I d: R = CH3, x=1 X-2

8014. 1 0 0 Tergitol ether II d: R = CH3, x=2 X-2

8015. 1 0 0 Tergitol ether III d: R = CH3, x=3 X-2

8016. 1 0 0 Tergitol ether IV d: R = H, x=1

d The Tergitol ethers possessed the structures indicated:

X-2

CH3CHCH2CHCH2CHCH2CHCH3

O(CH2CH2O)xCH2R

CH3 CH3 CH3

8017. 92-06-8

26140-60-3

1 0 0 1,1’:3’,1”-Terphenyl {m-terphenyl}

I.B-1

8018. 2432-11-3 1 0 0 1,1’,3’-Terphenyl-2’-ol

OH

IX.A-22

8019. 92-94-4 1 0 0 1,1’:4’,1”-Terphenyl

I.B-1

8020. 1148-79-4 1 1 1 2,2':6',2''-Terpyridine

NN

N

XVII.B-6

290


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8021. 494-04-2 1 1 1 3,2':4',3''-Terpyridine {nicotelline}

N

N

N

XVII.B-6

8022. 100-97-0 1 0 0 1,3,5,7-Tetraazatricyclo[3.3.1.13,7

]decane {hexamethylenetetramine}

XII-2

8023. 4181-95-7 1 0 0 Tetracontane H3C-(CH2)38-CH3 I.A-10

8024. 1 0 0 1,6,10,14,18,23-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl- {isosqualene}

I.B-1

8025. 7683-64-9 1 1 1 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-

I.B-1

8026. 111-02-4 1 1 1 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)- {squalene}

I.B-1

8027. 0 1 0 2,6,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-pentamethyl-

I.B-1

8028. 646-31-1 1 1 1 Tetracosane H3C-(CH2)22-CH3 I.A-10

8029. 28503-88-0 1 1 1 Tetracosane, methyl- I.A-10

8030. 1560-78-7 1 0 0 Tetracosane, 2-methyl- I.A-10

8031. 1 1 1 Tetracosane, 3-methyl- I.A-10

8032. 557-59-5 1 1 1 Tetracosanoic acid {lignoceric acid} H3C-(CH2)22-COOH IV.A-3

8033. 42233-59-0 1 1 1 Tetracosanoic acid, docosyl ester H3C-(CH2)22-COO-(CH2)21-CH3 V-3

8034. 42233-49-8 1 1 1 Tetracosanoic acid, dodecyl ester H3C-(CH2)22-COO-(CH2)11-CH3 V-3

8035. 42233-57-8 1 1 1 Tetracosanoic acid, eicosyl ester H3C-(CH2)22-COO-(CH2)19-CH3 V-3

8036. 1 1 1 Tetraosanoic acid, ester with olean-12-en-3-ol, (3β)- {β-amyrenyl tetracosanoate)

V-3

8037. 42233-58-9 1 1 1 Tetracosanoic acid, heneicosyl ester H3C-(CH2)22-COO-(CH2)20-CH3 V-3

8038. 1 1 1 Tetracosanoic acid, heptacosyl ester H3C-(CH2)22-COO-(CH2)26-CH3 V-3

8039. 42233-54-5 1 1 1 Tetracosanoic acid, heptadecyl ester H3C-(CH2)22-COO-(CH2)16-CH3 V-3

8040. 121878-03-3 1 1 1 Tetracosanoic acid, hexacosyl ester H3C-(CH2)22-COO-(CH2)25-CH3 V-3

8041. 42233-53-4 1 1 1 Tetracosanoic acid, hexadecyl ester H3C-(CH2)22-COO-(CH2)15-CH3 V-3

8042. 42233-56-7 1 1 1 Tetracosanoic acid, nonadecyl ester H3C-(CH2)22-COO-(CH2)18-CH3 V-3

8043. 24897-95-8 1 1 1 Tetracosanoic acid, octacosyl ester H3C-(CH2)22-COO-(CH2)27-CH3 V-3

8044. 42233-55-6 1 1 1 Tetracosanoic acid, octadecyl ester H3C-(CH2)22-COO-(CH2)17-CH3 V-3

8045. 1 1 1 Tetracosanoic acid, pentacosyl ester H3C-(CH2)22-COO-(CH2)24-CH3 V-3

8046. 42233-52-3 1 1 1 Tetracosanoic acid, pentadecyl ester H3C-(CH2)22-COO-(CH2)14-CH3 V-3

8047. 1001-43-0 1 1 1 Tetracosanoic acid, tetracosyl ester H3C-(CH2)22-COO-(CH2)23-CH3 V-3

8048. 42233-51-2 1 1 1 Tetracosanoic acid, tetradecyl ester H3C-(CH2)22-COO-(CH2)13-CH3 V-3

8049. 42233-60-3 1 1 1 Tetracosanoic acid, tricosyl ester H3C-(CH2)22-COO-(CH2)22-CH3 V-3

8050. 42233-50-1 1 1 1 Tetracosanoic acid, tridecyl ester H3C-(CH2)22-COO-(CH2)12-CH3 V-3

291


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8051. 36378-43-5 0 1 0 Tetracosanoic acid, 22-methyl- IV.A-3

8052. 121877-84-7 1 1 1 Tetracosanoic acid, 22-methyl-, docosyl ester V-3

8053. 121877-77-8 1 1 1 Tetracosanoic acid, 22-methyl-, eicosyl ester V-3

8054. 0 1 0 Tetracosanoic acid, 23-methyl- IV.A-3

8055. 71608-05-4 1 0 0 Tetracosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

8056. 506-51-4 1 1 1 1-Tetracosanol H3C-(CH2)22-CH2OH II.A-5

8057. 63785-29-5 0 1 0 1-Tetracosanol, 22-methyl- II.A-5

8058. 0 1 0 1-Tetracosanol, 23-methyl- II.A-5

8059. 10192-32-2 1 0 0 1-Tetracosene H2C=CH-(CH2)21-CH3 I.B-1

8060. 1 0 0 1-Tetracosene, 2-methyl- H2C=C(CH3)-(CH2)21-CH3 I.B-1

8061. 1 0 0 2-Tetracosene, (Z)- H3C-CH=CH-(CH2)20-CH3 I.B-1

8062. 1 0 0 2-Tetracosene, (E)- I.B-1

8063. 1 0 0 2-Tetracosene, 2-methyl- H3C-C(CH3)=CH-(CH2)20-CH3 I.B-1

8064. 1 0 0 2-Tetracosene, 22-methyl-, (Z)- H3C-CH=CH-(CH2)18-CH(CH3)-CH2-CH3

I.B-1

8065. 1 0 0 2-Tetracosene, 22-methyl-, (E)- I.B-1

8066. 1 0 0 2-Tetracosene, 23-methyl-, (Z)- H3C-CH=CH-(CH2)19-CH(CH3)2 I.B-1

8067. 1 0 0 2-Tetracosene, 23-methyl-, (E)- I.B-1

8068. 14490-79-0 1 0 0 15-Tetracosenoic acid {nervonic acid} IV.A-3

8069. 506-37-6 1 0 0 15-Tetracosenoic acid, (Z)- IV.A-3

8070. 69521-46-6 0 1 0 Tetracosen-1-ol II.A-5

8071. 58879-40-6 0 1 0 1,13-Tetradecadien-3-one III-13

8072. 124-25-4 1 1 1 Tetradecanal {myristaldehyde} H3C-(CH2)12-CH=O III-12

8073. 629-59-4 1 1 1 Tetradecane H3C-(CH2)12-CH3 I.A-10

8074. 1560-96-9 0 1 0 Tetradecane, 2-methyl- H3C-(CH2)11-CH=(CH3)2 I.A-10

8075. 0 1 0 Tetradecane, 3-methyl- H3C-(CH2)10-CH(CH3)-CH2-CH3 I.A-10

8076. 14905-56-7 0 1 0 Tetradecane, 2,6,10-trimethyl- I.A-10

8077. 821-38-5 1 0 0 Tetradecanedioic acid HOOC-(CH2)12-COOH IV.A-3

8078. 544-63-8 1 1 1 Tetradecanoic acid {myristic acid} H3C-(CH2)12-COOH IV.A-3

8079. 42232-05-3 1 1 1 Tetradecanoic acid, docosyl ester H3C-(CH2)12-COO(CH2)21-CH3 V-3

8080. 2040-64-4 1 1 1 Tetradecanoic acid, dodecyl ester H3C-(CH2)12-COO-(CH2)11-CH3 V-3

8081. 22413-00-9 1 1 1 Tetradecanoic acid, eicosyl ester H3C-(CH2)12-COO-(CH2)19-CH3 V-3

8082. 124-06-1 0 1 0 Tetradecanoic acid, ethyl ester {ethyl myristate} H3C-(CH2)12-COO-C2H5 V-3

8083. 42218-21-3 1 1 1 Tetradecanoic acid, heneicosyl ester H3C-(CH2)12-COO-(CH2)20-CH3 V-3

8084. 1 1 1 Tetradecanoic acid, heptacosyl ester H3C-(CH2)12-COO-(CH2)26-CH3 V-3

8085. 18299-78-0 1 1 1 Tetradecanoic acid, heptadecyl ester H3C-(CH2)12-COO-(CH2)16-CH3 V-3

8086. 80252-34-2 1 1 1 Tetradecanoic acid, hexacosyl ester H3C-(CH2)12-COO-(CH2)25-CH3 V-3

8087. 2599-01-1 1 1 1 Tetradecanoic acid, hexadecyl ester H3C-(CH2)12-COO-(CH2)15-CH3 V-3

8088. 124-10-7 1 1 1 Tetradecanoic acid, methyl ester H3C-(CH2)12-COO-CH3 V-3

8089. 110-27-0 0 1 0 Tetradecanoic acid, 1-methylethyl ester H3C-(CH2)12-COO-CH=(CH3)2 V-3

8090. 36617-28-4 1 1 1 Tetradecanoic acid, nonadecyl ester H3C-(CH2)12-COO-(CH2)18-CH3 V-3

292


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8091. 3234-81-9 1 1 1 Tetradecanoic acid, octadecyl ester H3C-(CH2)12-COO-(CH2)17-CH3 V-3

8092. 121877-45-0 1 1 1 Tetradecanoic acid, pentacosyl ester H3C-(CH2)12-COO-(CH2)24-CH3 V-3

8093. 18299-74-6 1 1 1 Tetradecanoic acid, pentadecyl ester H3C-(CH2)12-COO-(CH2)14-CH3 V-3

8094. 18653-39-9 1 1 1 Tetradecanoic acid, tetracosyl ester H3C-(CH2)12-COO-(CH2)23-CH3 V-3

8095. 3234-85-3 1 1 1 Tetradecanoic acid, tetradecyl ester H3C-(CH2)12-COO-(CH2)13-CH3 V-3

8096. 42232-06-4 1 1 1 Tetradecanoic acid, tricosyl ester H3C-(CH2)12-COO-(CH2)22-CH3 V-3

8097. 36617-27-3 1 1 1 Tetradecanoic acid, tridecyl ester H3C-(CH2)12-COO-(CH2)12-CH3 V-3

8098. 1961-72-4 1 1 1 Tetradecanoic acid, 3-hydroxy- H3C-(CH2)10-CHOH-CH2-COOH IV.A-3

8099. 5502-94-3

5746-58-7

1 1 1 Tetradecanoic acid, 12-methyl- H3C-CH2-CH(CH3)-(CH2)10-COOH IV.A-3

8100. 121877-30-3 1 1 1 Tetradecanoic acid, 12-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)21-CH3

V-3

8101. 121877-23-4 1 1 1 Tetradecanoic acid, 12-methyl-, eicosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)19-CH3

V-3

8102. 121877-28-9 1 1 1 Tetradecanoic acid, 12-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)20-CH3

V-3

8103. 121877-56-3 1 1 1 Tetradecanoic acid, 12-methyl-, hexacosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)25-CH3

V-3

8104. 121877-08-5 1 1 1 Tetradecanoic acid, 12-methyl-, hexadecyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)15-CH3

V-3

8105. 121877-17-6 1 1 1 Tetradecanoic acid, 12-methyl-, octadecyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)17-CH3

V-3

8106. 121877-48-3 1 1 1 Tetradecanoic acid, 12-methyl-, pentacosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)24-CH3

V-3

8107. 121877-40-5 1 1 1 Tetradecanoic acid, 12-methyl-, tetracosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)23-CH3

V-3

8108. 121877-34-7 1 1 1 Tetradecanoic acid, 12-methyl-, tricosyl ester H3C-CH2-CH(CH3)-(CH2)10-COO-(CH2)22-CH3

V-3

8109. 2485-71-4 0 1 0 Tetradecanoic acid, 13-methyl- (H3C)2=CH-(CH2)11-COOH IV.A-3

8110. 121877-29-0 1 1 1 Tetradecanoic acid, 13-methyl-, docosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)21-CH3

V-3

8111. 121877-21-2 1 1 1 Tetradecanoic acid, 13-methyl-, eicosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)19-CH3

V-3

8112. 121877-26-7 1 1 1 Tetradecanoic acid, 13-methyl-, heneicosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)20-CH3

V-3

8113. 121877-49-4 1 1 1 Tetradecanoic acid, 13-methyl-, hexacosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)25-CH3

V-3

8114. 71801-84-8 1 1 1 Tetradecanoic acid, 13-methyl-, hexadecyl ester (H3C)2=CH-(CH2)11-COO-(CH2)15-CH3

V-3

8115. 121877-12-1 1 1 1 Tetradecanoic acid, 13-methyl-, octadecyl ester (H3C)2=CH-(CH2)11-COO-(CH2)17-CH3

V-3

8116. 121877-35-8 1 1 1 Tetradecanoic acid, 13-methyl-, tetracosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)23-CH3

V-3

8117. 121877-32-5 1 1 1 Tetradecanoic acid, 13-methyl-, tricosyl ester (H3C)2=CH-(CH2)11-COO-(CH2)22-CH3

V-3

293


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8118. 71607-88-0 1 1 1 Tetradecanoic acid, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34- hexatriacontanonaenyl ester

V-3

8119. 62172-52-5 1 0 0 Tetradecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

8120. 112-72-1 1 1 1 1-Tetradecanol H3C-(CH2)12-CH2OH II.A-5

8121. 50313-71-8 0 1 0 1-Tetradecanol, 12-methyl- II.A-5

8122. 15371-32-1 0 1 0 2,6,11,13-Tetradecatetraenal, 3,7,13-trimethyl-10-(1-methylethyl)-, [S- (E,E,E)]-

III-12 H3C CH3

CH2

CH3CH=O

CH3

H3C

23

4

5

5

78

9

10

11

12

13

8123. 125572-76-1 1 1 1 2,6,11,13-Tetradecatetraenal, 3,7,13-trimethyl-10-(1-methylethyl)-

III-12

8124. 150405-77-9 0 1 0 2,6,11,13-Tetradecatetraen-1-ol, 3,7,13-trimethyl-10-(1-methylethyl)-

II.A-5

8125. 30790-23-9 0 1 0 Tetradecatrienoic acid IV.A-3

8126. 1120-36-1 1 1 1 1-Tetradecene H2C=CH-(CH2)11-CH3 I.B-1

8127. 1 0 0 1-Tetradecene, 2-methyl- H2C=C(CH3)-(CH2)11-CH3 I.B-1

8128. 1652-97-7 1 0 0 2-Tetradecene, (Z)- H3C-CH=CH-(CH2)10-CH3 I.B-1

8129. 1 0 0 2-Tetradecene, (E)- I.B-1

8130. 1 0 0 2-Tetradecene, 2-methyl- H3C-C(CH3)=CH-(CH2)10-CH3 I.B-1

8131. 1 0 0 2-Tetradecene, 12-methyl-,(Z)- H3C-CH=CH-(CH2)8-CH(CH3)-CH2-CH3

I.B-1

8132. 1 0 0 2-Tetradecene, 12-methyl-, (E)- I.B-1

8133. 1 0 0 2-Tetradecene, 13-methyl-, (Z)- H3C-CH=CH-(CH2)9-CH(CH3)2 I.B-1

8134. 1 0 0 2-Tetradecene, 13-methyl-, (E)- I.B-1

8135. 26444-03-1 1 1 1 Tetradecenoic acid IV.A-3

8136. 56219-06-8 0 1 0 9-Tetradecenoic acid, methyl ester, (Z)- V-3

8137. 14167-59-0 1 1 1 Tetratriacontane H3C-(CH2)32-CH3 I.A-10

8138. 14167-65-8 0 1 0 Tetratriacontane, 2-methyl- H3C-CH(CH3)-(CH2)31-CH3 I.A-10

8139. 66309-88-4 1 1 1 Tetratriacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)30-CH3 I.A-10

8140. 1 0 0 Tetratriacontanoic acid H3C-(CH2)32-COOH IV.A-3

8141. 7440-28-0 1 1 1 Thallium Tl XX-5

8142. 420-12-2 0 1 0 Thiacyclopropane {ethylene sulfide} S

XVIII.A-1

8143. 533-74-4 0 1 0 1,3,5-Thiadiazine, 2-thio-3,5-dimethyl-tetrahydro- {Dazomet®; Mylone®}

XVIII.A-1, XXI-3

N

N

S

S

8144. 288-47-1 1 1 1 Thiazole

N S1

2

3

4 5

XVIII.A-1

8145. 1 0 0 Thiazole, methyl-5-propyl- XVIII.A-1

294


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8146. 37645-61-7 1 0 0 Thiazole, 2-butyl- XVIII.A-1

8147. 15679-09-1 1 0 0 Thiazole, 2-ethyl- XVIII.A-1

8148. 19961-53-6 1 0 0 Thiazole, 2-ethyl-5-methyl- XVIII.A-1

8149. 3581-87-1 1 0 0 Thiazole, 2-methyl- XVIII.A-1

8150. 1 0 0 Thiazole, 2-(3-methylbutyl)- XVIII.A-1

8151. 1 0 0 Thiazole, 2-(1-methylethyl)- XVIII.A-1

8152. 1 0 0 Thiazole, 2-(1-methylpropyl)- XVIII.A-1

8153. 18640-74-9 1 0 0 Thiazole, 2-(2-methylpropyl)- XVIII.A-1

8154. 32272-49-4 1 0 0 Thiazole, 2,4-diethyl- XVIII.A-1

8155. 541-58-2 1 0 0 Thiazole, 2,4-dimethyl- XVIII.A-1

8156. 13623-11-5 1 0 0 Thiazole, 2,4,5-trimethyl- XVIII.A-1

8157. 1 0 0 Thiazole, 2,5-diethyl-4-methyl- XVIII.A-1





8162. 137-00-8 0 1 0 Thiazole, 4-methyl-5-(2'-hydroxyethyl)- H3C CH2-CH2-OH

N S

XVIII.A-1

8163. 1 0 0 Thiazole, 4-(2-methylpropyl)- XVIII.A-1

8164. 41981-60-6 1 0 0 Thiazole, 4-propyl- XVIII.A-1


8166. 17626-73-2 1 0 0 Thiazole, 5-ethyl- XVIII.A-1

8167. 38205-61-7 1 0 0 Thiazole, 5-ethyl-2,4-dimethyl- XVIII.A-1




8171. 88381-44-6 0 1 0 4-Thiazolidinecarboxylic acid, 3-nitroso- {N-nitrosothioproline}

IV.A-3, XV-9, XVIII.A-1 NO

N

S

HOOC

8172. 154-87-0 0 1 0 Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide

XII-2, XVII.B-2, XVIII.A-1, XVIII.B-3

8173. 59-43-8 0 1 0 Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl- chloride {thiamine}

II.A-5, XII-2, XVII.B-2, XVIII.A-1, XVIII.B-3

N NH2H3CS

CH3

OH

N+

Cl-

N

295


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8174. 67-03-8 0 1 0 Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl- chloride, monohydrochloride

{thiamine hydrochloride}

II.A-5, XII-2, XVII.B-2, XVIII.A-1, XVIII.B-3

N NH2H3CS

CH3

OH

N+

Cl-

N

.HCl

8175. 58-85-5 0 1 0 1H-Thieno[3,4-d]imidazole-4-pentanoic acid,

hexahydro-2-oxo-, [3aS-(3aα,4β,6aα)]-

IV.A-3, XVII.E-8, XVIII.A-1

8176. 36267-71-7 0 1 0 Thieno(3,4-d)pyrimidine, 5,7-dihydro-2-methyl-

H3C

N

N

S

XVIII.A-1

8177. 302-04-5 1 0 0 Thiocyanate XVIII.A-1

8178. 463-56-9 1 0 0 Thiocyanic acid HSCN XVIII.A-1

8179. 556-64-9 1 0 0 Thiocyanic acid, methyl ester H3C-SCN XVIII.A-1

8180. 505-14-6 1 0 0 Thiocyanogen (SCN)2 XVIII.A-1

8181. 137-26-8 0 1 0 Thioformamide, 1,1'-dithiobis(N,N-dimethyl {Thiram®}

XVIII.A-1, XXI-3

8182. 22223-61-6 1 0 0 Thionitrous acid (HNOS), S-methyl ester XVIII.A-1

8183. 110-02-1 1 1 1 Thiophene

S2

34

5

XVIII.A-1

8184. 638-00-6 1 0 0 Thiophene, 2,4-dimethyl- XVIII.A-1

8185. 25154-40-9 1 1 1 Thiophene, methyl- XVIII.A-1

8186. 554-14-3 1 0 0 Thiophene, 2-methyl- XVIII.A-1

8187. 126-33-0 1 0 0 Thiophene, tetrahydro-, 1,1-dioxide {Sulfolan®}

SO O

XVIII.A-1, XXI-3

8188. 98-03-3 1 1 1 2-Thiophenecarboxaldehyde XVIII.A-1

8189. 5834-16-2 1 1 1 2-Thiophenecarboxaldehyde, 3-methyl-

SCH=O

CH3

XVIII.A-1

8190. 13679-70-4 1 1 1 2-Thiophenecarboxaldehyde, 5-methyl-

SCH=OH3C

XVIII.A-1

8191. 149956-84-3 0 1 0 Thioredoxin h2 (tobacco) XXII-2

8192. 7440-29-1 1 1 1 Thorium Th XX-5

8193. 14274-82-9 1 1 1 Thorium, isotope of mass 228 228

Th XX-5

8194. 72-19-5 1 1 1 L-Threonine H3C-CHOH-CH(NH2)-COOH

II.A5, IV.A-3, IV.B-7, XII-2

8195. 32190-57-1 0 1 0 L-Threonine, N-[2-amino-4-(3-hydroxy-2-oxo-3-azetidinyl)-1-oxobutyl]-

II.A5, IV.A-3, IV.B-7, XVII.A-1

8196. 0 1 0 L-Threonine, N-(1-deoxy-D-fructos-1-yl)- II.A5, IV.A-3, IV.B-7, X-2

8197. 7440-30-4 1 1 1 Thulium Tm XX-5

296


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8198. 50-89-5 0 1 0 Thymidine II.A-5, X-2

O N

HN

O

CH3

O

OHHOCH2

8199. 7440-31-5 1 1 1 Tin Sn XX-5

8200. 7440-32-6 1 1 1 Titanium Ti XX-5

8201. 0 1 0 Transaminase XXII-2

8202. 50812-37-8 0 1 0 Transferase, glutathione S- XXII-2

8203. 9014-48-6 0 1 0 Transketolase XXII-2

8204. 0 1 0 Transmethylase XXII-2

8205. 97-20-7 0 1 0 Trehalose II.A-5, VIII-3

8206. 101-05-3 0 1 0 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)- {Anilazine®; Dyrene®}

XVII.B-2, XVIII.B-3, XXI-3

8207. 21087-64-9 0 1 0 1,2,4-Triazin-5(4H)-one, 4-amino-6-tert-butyl-3-(methylthio)- {Metribuzin®}

XVII.B-2, XII-2, XVIII.A-1, XXI-3

SO

N

N

N

NH2

(CH3)3C

CH3

8208. 66246-88-6 0 1 0 1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)- {Penconazole®}

XVII.A-4, XVIII.B-3, XXI-3

NN

N

Cl Cl

(CH2)2-CH3

8209. 55219-65-3 0 1 0 1H-1,2,4-Triazol-1-ethanol, 8-(4-chlorophenoxy)-α-(1,1-dimethylethyl}- {Triadimenol®}

X-2, XVII.A-4, XVIII.B-3, XXI-3

NN

N

Cl

O

CHOH-C(CH3)3

8210. 122836-35-5 0 1 0 1H-1,2,4-Triazol-1-yl)phenyl)methane-sulfonamide, N-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo- {Sulfentrazone®}

XVII.A-4, XVIII.A-1, XVIII.B-3, XXI-3

N

N

N

CHF2

O

Cl

SO2

Cl

H3C

CH3

8211. 27096-03-3 1 0 0 5H-Tribenzo[a,f,l]trindene, 10,15-dihydro-

{5H-diindeno[1,2-a:1’,2’-c]fluorene; truxene}

I.B-6

8212. 638-68-6 1 1 1 Triacontane H3C-(CH2)28-CH3 I.A-10

8213. 1560-72-1 1 1 1 Triacontane, 2-methyl- H3C-CH(CH3)-(CH2)27-CH3 I.A-10

8214. 1 1 1 Triacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)26-CH3 I.A-10

297


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8215. 506-50-3 1 0 0 Triacontanoic acid H3C-(CH2)28-COOH IV.A-3

8216. 121878-07-7 1 1 1 Triacontanoic acid, docosyl ester H3C-(CH2)28-COO-(CH2)21-CH3 V -3

8217. 1 1 1 Triacontanoic acid, ester with olean-12-en-3-ol,

(3β)- {β-amyrenyl triacontanoate}

V-3

8218. 104932-26-5 1 1 1 Triacontanoic acid, eicosyl ester H3C-(CH2)28-COO-(CH2)19-CH3 V-3

8219. 1 1 1 1-Triacontanol H3C-(CH2)28-CH2OH II.A-5

8220. 18435-53-5 1 0 0 1-Triacontene H2C=CH-(CH2)27-CH3 I.B-1

8221. 1 0 0 1-Triacontene, 2-methyl- H2C=C(CH3)-(CH2)27-CH3 I.B-1

8222. 1 0 0 2-Triacontene, (Z)- H3C-CH=CH-(CH2)26-CH3 I.B-1

8223. 1 0 0 2-Triacontene, (E)- I.B-1

8224. 1 0 0 2-Triacontene, 2-methyl- H3C-C(CH3)=CH-(CH2)26-CH3 I.B-1

8225. 1 0 0 2-Triacontene, 28-methyl-, (Z)- H3C-CH=CH-(CH2)24-CH(CH3)-CH2-CH3

I.B-1

8226. 1 0 0 2-Triacontene, 28-methyl-, (E)- I.B-1

8227. 1 0 0 2-Triacontene, 29-methyl-, (Z)- H3C-CH=CH-(CH2)25-CH(CH3)2 I.B-1

8228. 1 0 0 2-Triacontene, 29-methyl-, (E)- I.B-1

8229. 638-67-5 1 1 1 Tricosane H3C-(CH2)21-CH3 I.A-10

8230. 1928-30-9 1 1 1 Tricosane, 2-methyl- H3C-CH(CH3)-(CH2)20-CH3 I.A-10

8231. 13410-45-2 0 1 0 Tricosane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)19-CH3 I.A-10

8232. 2433-96-7 1 1 1 Tricosanoic acid H3C-(CH2)21-COOH IV.A-3

8233. 42233-37-4 1 1 1 Tricosanoic acid, docosyl ester H3C-(CH2)21-COO-(CH2)21-CH3 V-3

8234. 42233-27-2 1 1 1 Tricosanoic acid, dodecyl ester H3C-(CH2)21-COO-(CH2)11-CH3 V-3

8235. 42233-35-2 1 1 1 Tricosanoic acid, eicosyl ester H3C-(CH2)21-COO-(CH2)19-CH3 V-3

8236. 42233-36-3 1 1 1 Tricosanoic acid, heneicosyl ester H3C-(CH2)21-COO-(CH2)20-CH3 V-3

8237. 1 1 1 Tricosanoic acid, heptacosyl ester H3C-(CH2)21-COO-(CH2)26-CH3 V-3

8238. 42233-32-9 1 1 1 Tricosanoic acid, heptadecyl ester H3C-(CH2)21-COO-(CH2)16-CH3 V-3

8239. 121877-98-3 1 1 1 Tricosanoic acid, hexacosyl ester H3C-(CH2)21-COO-(CH2)25-CH3 V-3

8240. 42233-31-8 1 1 1 Tricosanoic acid, hexadecyl ester H3C-(CH2)21-COO-(CH2)15-CH3 V-3

8241. 2433-97-8 0 1 0 Tricosanoic acid, methyl ester H3C-(CH2)21-COO-CH3 V-3

8242. 42233-34-1 1 1 1 Tricosanoic acid, nonadecyl ester H3C-(CH2)21-COO-(CH2)18-CH3 V-3

8243. 42233-33-0 1 1 1 Tricosanoic acid, octadecyl ester H3C-(CH2)21-COO-(CH2)17-CH3 V-3

8244. 1 1 1 Tricosanoic acid, pentacosyl ester H3C-(CH2)21-COO-(CH2)24-CH3 V-3

8245. 42233-30-7 1 1 1 Tricosanoic acid, pentadecyl ester H3C-(CH2)21-COO-(CH2)14-CH3 V-3

8246. 42233-39-6 1 1 1 Tricosanoic acid, tetracosyl ester H3C-(CH2)21-COO-(CH2)23-CH3 V-3

8247. 42233-29-4 1 1 1 Tricosanoic acid, tetradecyl ester H3C-(CH2)21-COO-(CH2)13-CH3 V-3

8248. 42233-38-5 1 1 1 Tricosanoic acid, tricosyl ester H3C-(CH2)21-COO-(CH2)22-CH3 V-3

8249. 42233-28-3 1 1 1 Tricosanoic acid, tridecyl ester H3C-(CH2)21-COO-(CH2)12-CH3 V-3

8250. 36332-96-4 1 1 1 Tricosanoic acid, 21-methyl- H3C-CH2-CH(CH3)-(CH2)19-COOH IV.A-3

8251. 121877-82-5 1 1 1 Tricosanoic acid, 21-methyl-, docosyl ester H3C-CH2-CH(CH3)-(CH2)19-COO-(CH2)21-CH3

V-3

8252. 121877-72-3 1 1 1 Tricosanoic acid, 21-methyl-, eicosyl ester H3C-CH2-CH(CH3)-(CH2)19-COO-(CH2)19-CH3

V-3

298


CAS No.

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T

S

T


Selected structures

Chapter

Table

8253. 121877-73-4 1 1 1 Tricosanoic acid, 21-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)19-COO-(CH2)20-CH3

V-3

8254. 121877-63-2 1 1 1 Tricosanoic acid, 21-methyl-, nonadecyl ester H3C-CH2-CH(CH3)-(CH2)19-COO-(CH2)18-CH3

V-3

8255. 4730-63-6 1 1 1 Tricosanoic acid, 22-methyl- (H3C)2=CH-(CH2)20-COOH IV.A-3

8256. 71608-06-5 1 0 0 Tricosanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

8257. 3133-01-5 1 1 1 1-Tricosanol H3C-(CH2)21-CH2OH II.A-5

8258. 63907-54-0 0 1 0 1-Tricosanol, 22-methyl- (H3C)2=CH-(CH2)20-CH2OH II.A-5

8259. 540-09-0 1 1 1 12-Tricosanone [H3C-(CH2)10]2=C=O III-13

8260. 66309-85-1 1 1 1 5,9,13,17,21-Tricosapentaen-2-one, 6,10,14,18,22-pentamethyl-

III-13

8261. 18835-32-0 1 1 1 1-Tricosene H3C-(CH2)20-CH=CH2 I.B-1

8262. 1 0 0 1-Tricosene, 2-methyl- H2C=C(CH3)-(CH2)20-CH3 I.B-1

8263. 1 0 0 2-Tricosene, (Z)- H3C-CH=CH-(CH2)19-CH3 I.B-1

8264. 1 0 0 2-Tricosene, (E)- I.B-1

8265. 1 0 0 2-Tricosene, 2-methyl- H3C-C(CH3)=CH-(CH2)19-CH3 I.B-1

8266. 1 0 0 2-Tricosene, 21-methyl-, (Z)- H3C-CH=CH-(CH2)17-CH(CH3)-CH2-CH3

I.B-1

8267. 1 0 0 2-Tricosene, 21-methyl-, (E)- I.B-1

8268. 1 0 0 2-Tricosene, 22-methyl-, (Z)- H3C-CH=CH-(CH2)18-CH(CH3)2 I.B-1

8269. 1 0 0 2-Tricosene, 22-methyl-, (E)- I.B-1

8270. 27519-02-4 0 1 0 9-Tricosene I.B-1

8271. 30326-99-9 1 0 0 Tricosenoic acid IV.A-3

8272. 279-19-6 1 0 0 Tricyclo[2.2.1.02,6]heptane

CH2

CH

CHCH2

H2C

CHHC

I.C-1

8273. 707-35-7 0 1 0 Tricyclo[3.3.1.1]decane, 1,3,5-trimethyl-

(CH3)3

1.C-1

8274. 472-97-9 0 1 0 Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-,

[1R-(1α,2α,5β,8β)]-

II.A-5

8275. 195-84-6 1 0 0 Tricycloquinazoline XVII.E-6

8276. 28522-57-8 1 0 0 Tricycloquinazoline, 3-methyl- XVII.E-6

8277. 129777-24-8 0 1 0 3,7-Tridecadiene-2,12-dione, 6-hydroxy-6-methyl-9-(1-methylethyl)-

II.A-5, III-13

8278. 60593-18-2 0 1 0 3,8-Tridecadiene-2,12-dione, 8-methyl-5-(1-methylethyl)-, [S-(E,E)]-

III-13

8279. 10486-19-8 0 1 0 Tridecanal H3C-(CH2)11-CH=O III-12

8280. 629-50-5 1 1 1 Tridecane H3C-(CH2)11-CH3 I.A-10

8281. 1590-96-9 0 1 0 Tridecane, 2-methyl- H3C-(CH2)10-CH=(CH3)2 I.A-10

8282. 0 1 0 Tridecane, 3-methyl- H3C-(CH2)9-CH(CH3)-CH2-CH3 I.A-10

8283. 19780-80-4 0 1 0 Tridecane, 7-methylene- [H3C-(CH2)5]2=C=CH2 I.B-1

8284. 505-52-2 1 0 0 Tridecanedioic acid HOOC-(CH2)11-COOH IV.A-3

299


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8285. 638-53-9 1 1 1 Tridecanoic acid H3C-(CH2)11-COOH IV.A-3

8286. 36617-26-2 1 1 1 Tridecanoic acid, eicosyl ester H3C-(CH2)11-COO-(CH2)19-CH3 V-3

8287. 1731-88-0 0 1 0 Tridecanoic acid, methyl ester H3C-(CH2)11-COO-CH3 V-3

8288. 121877-24-5 1 1 1 Tridecanoic acid, 11-methyl-, heneicosyl ester H3C-CH2-CH(CH3)-(CH2)9-COO-(CH2)20-CH3

V-3

8289. 121877-57-4 1 1 1 Tridecanoic acid, 11-methyl-, heptacosyl ester H3C-CH2-CH(CH3)-(CH2)9-COO-(CH2)26-CH3

V-3

8290. 121877-07-4 1 1 1 Tridecanoic acid, 11-methyl-, heptadecyl ester H3C-CH2-CH(CH3)-(CH2)9-COO-(CH2)16-CH3

V-3

8291. 121877-16-5 1 1 1 Tridecanoic acid, 11-methyl-, nonadecyl ester H3C-CH2-CH(CH3)-(CH2)9-COO-(CH2)18-CH3

V-3

8292. 2724-57-4 1 1 1 Tridecanoic acid, 12-methyl- (H3C)2=CH-(CH2)10-COOH IV.A-3

8293. 121877-25-6 1 1 1 Tridecanoic acid, 12-methyl-, docosyl ester (H3C)2=CH-(CH2)10-COO-(CH2)21-CH3 V-3

8294. 121877-19-8 1 1 1 Tridecanoic acid, 12-methyl-, eicosyl ester (H3C)2=CH-(CH2)10-COO-(CH2)19-CH3 V-3

8295. 121877-22-3 1 1 1 Tridecanoic acid, 12-methyl-, heneicosyl ester (H3C)2=CH-(CH2)10-COO-(CH2)20-CH3 V-3

8296. 121877-14-3 1 1 1 Tridecanoic acid, 12-methyl-, heptadecyl ester (H3C)2=CH-(CH2)10-COO-(CH2)16-CH3 V-3

8297. 5129-58-8 0 1 0 Tridecanoic acid, 12-methyl-, methyl ester (H3C)2=CH-(CH2)10-COO-CH3 V-3

8298. 121877-11-0 1 1 1 Tridecanoic acid, 12-methyl-, nonadecyl ester (H3C)2=CH-(CH2)10-COO-(CH2)18-CH3 V-3

8299. 121877-09-6 1 1 1 Tridecanoic acid, 12-methyl-, octadecyl ester (H3C)2=CH-(CH2)10-COO-(CH2)17-CH3 V-3

8300. 71608-07-6 1 0 0 Tridecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

8301. 112-70-9 1 1 1 1-Tridecanol H3C-(CH2)11-CH2OH II.A-5

8302. 0 1 0 1-Tridecanol, 12-methyl- (H3C)2=CH-(CH2)10-CH2OH II.A-5

8303. 593-08-8 0 1 0 2-Tridecanone H3C-(CH2)10-CO-CH3 III-13

8304. 117210-51-2 0 1 0 2-Tridecanone, 4,8,12-trimethyl- III-13

8305. 41678-34-6 0 1 0 Tridecatrienoic acid IV.A-3

8306. 59573-83-0 0 1 0 5,10,12-Tridecatrien-2-one, 6,12-dimethyl-9-(1-methylethyl)-, [S-(E,E)]-

III-13

8307. 7774-82-5 0 1 0 2-Tridecenal H3C-(CH2)9-CH=CH-CH=O III-12

8308. 25377-82-6 1 1 1 Tridecene H-(CH2)n-CH=CH-(CH2)(11-n)-H IB-1

8309. 2437-56-1 1 0 0 1-Tridecene H3C-(CH2)10-CH=CH2 IB-1

8310. 1 0 0 1-Tridecene, 2-methyl- H2C=C(CH3)-(CH2)10-CH3 IB-1

8311. 19150-20-0 1 0 0 2-Tridecene, (Z)- H3C-CH=CH-(CH2)9-CH3 IB-1

8312. 1 0 0 2-Tridecene, (E)- IB-1

8313. 1 0 0 2-Tridecene, 2-methyl- H3C-C(CH3)=CH-(CH2)9- CH3 IB-1

8314. 1 0 0 2-Tridecene, 11-methyl-, (Z)- H3C-CH=CH-(CH2)7-CH(CH3)-CH2-CH3

IB-1

8315. 1 0 0 2-Tridecene, 11-methyl-, (E)- IB-1

8316. 1 0 0 2-Tridecene, 12-methyl-, (Z)- H3C-CH=CH-(CH2)8-CH(CH3)2 IB-1

8317. 1 0 0 2-Tridecene, 12-methyl-, (E)- IB-1

8318. 60026-14-4 0 1 0 3-Tridecene-2,8-diol, 4,8,12-trimethyl- II.A-5

8319. 1 0 0 Tridecenoic acid IV.A-3

300


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8320. 123-63-7 1 0 0 1,3,5-Trioxane, 2,4,6-trimethyl-

{paraldehyde; acetaldehyde trimer}

O

O O

CH3

CH3

H3C1

2

34

5

6

X-2

8321. 81901-03-3 0 1 0 3,5,9-Trioxa-4-phosphaheptacosadien-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxooctadecadienyl)oxy]-, hydroxide, inner salt, 4-oxide

XII-2

8322. 70106-56-8 0 1 0 3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1- oxooctadecatrienyl)oxy]-, hydroxide, inner salt, 4-oxide, hexadehydro derivative, (R)-

XII-2

8323. 217-59-4 1 0 0 Triphenylene {9,10-benzophenanthrene}

I.E-6

8324. 60826-76-8 1 0 0 Triphenylene, dimethyl- I.E-6

8325. 41637-89-2 1 0 0 Triphenylene, methyl- I.E-6

8326. 60826-79-1 1 0 0 Triphenylene, trimethyl- I.E-6

8327. 76-87-9 0 1 0 Triphenylstannium hydroxide {Fentin hydroxide®} (C6H5)3≡Sn-OH XX-6, XXI-3

8328. 3658-80-8 1 0 0 Trisulfide, dimethyl- XVIII.A-1

8329. 630-05-7 1 1 1 Tritriacontane H3C-(CH2)31-CH3 I.A-10

8330. 66214-27-5 1 1 1 Tritriacontane, 2-methyl- (H3C)2=CH-(CH2)30-CH3 I.A-10

8331. 14167-69-2 1 1 1 Tritriacontane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)29-CH3 I.A-10

8332. 1 0 0 Tritriacontanoic acid H3C-(CH2)31-COOH IV.A-3

8333. 9035-81-8 0 1 0 Trypsin inhibitor XXII-2

8334. 150498-11-6 0 1 0 Trypsin inhibitor, TTI (tobacco isoform 1 reduced) XXII-2

8335. 6912-86-3 0 1 0 Tryptophan IV.A-3, IV.B-7

8336. 73-22-3 0 1 0 L-Tryptophan IV.A-3, IV.B-7

NH2

COOH

NH

8337. 60738-11-6 0 1 0 L-Tryptophan, labeled with 14

C IV.A-3, IV.B-7

8338. 7440-33-7 1 1 1 Tungsten W XX-5

8339. 0 1 0 Tyrase XXII-2

8340. 55520-40-6 0 1 0 Tyrosine IV.A-3, IV.B-7

8341. 587-45-1 0 1 0 Tyrosine, 3-hydroxy- IV.A-3, IV.B-7

8342. 60-18-4 0 1 0 L-Tyrosine IV.A-3, IV.B-7

HO

CH2-CH(NH2)-COOH

8343. 34393-22-1 0 1 0 L-Tyrosine, N-(1-deoxy-D-fructos-1-yl)- IV.A-3, IV.B-7

8344. 120904-94-1 0 1 0 Ubiquitin, poly- XXII-2

8345. 129970-88-3 0 1 0 5,9-Undecadienal, 6,10-dimethyl-2-methylene- III-12

8346. 55976-13-1 0 1 0 1,4-Undecadiene, (E)- H3C-(CH2)5-CH=CH-CH2-CH=CH2 I.B-1

301


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8347. 53837-34-6 1 0 0 5,9-Undecadien-2-ol, 6,10-dimethyl- II.A-5

8348. 0 1 0 5,8-Undecadien-2-one, 6,10-dimethyl- III-13

8349. 65017-84-7 0 1 0 5,8-Undecadien-2-one, 6,10-dimethyl-10-hydroxy- (E,E)-

II.A-5, III-13

8350. 689-67-8 0 1 0 5,9-Undecadien-2-one, 6,10-dimethyl- III-13

8351. 3796-70-1 1 1 1 5,9-Undecadien-2-one, 6,10-dimethyl-, (E)- {geranylacetone}

H(CH2-C(CH3)=CH-CH2)2-CH2-CO-CH3

III-13

8352. 3879-26-3 1 1 1 5,9-Undecadien-2-one, 6,10-dimethyl-, (Z)- {nerylacetone}

III-13

8353. 152209-56-8 0 1 0 6,10-Undecadien-2-one, 8-hydroxy-8-methyl-5-(1-methylethyl)-11-(tetrahydro-2-methyl-2-furanyl)-

II.A-5, III-13, X-2

8354. 51297-36-0 0 1 0 8,10-Undecadien-4-one, 2,10-dimethyl-7-(1-methylethyl)-, (E)-(±)-

III-13

8355. 112-44-7 0 1 0 Undecanal H3C-(CH2)9-CH=O III-12

8356. 1120-21-4 1 1 1 Undecane H3C-(CH2)9-CH3 I.A-10

8357. 1 0 0 Undecane, dimethyl- I.A-10

8358. 17301-23-4 0 1 0 Undecane, 2,6-dimethyl- I.A-10

8359. 7045-71-8 1 1 1 Undecane, 2-methyl- (H3C)2=CH-(CH2)8-CH3 I.A-10

8360. 1002-43-3 1 1 1 Undecane, 3-methyl- H3C-CH2-CH(CH3)-(CH2)7-CH3 I.A-10

8361. 1852-04-6 1 1 1 Undecanedioic acid HOOC-(CH2)9-COOH IV.A-3

8362. 112-37-8 1 1 1 Undecanoic acid

H3C-(CH2)9-COOH

IV.A-3

8363. 71608-08-7 1 0 0 Undecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

8364. 1731-86-8 0 1 0 Undecanoic acid, methyl ester H3C-(CH2)9-COOCH3 V-3

8365. 112-42-5 1 1 1 1-Undecanol H3C-(CH2)9-CH2OH II.A-5

8366. 1731-81-3 0 1 0 1-Undecanol, acetate H3C-(CH2)9-CH2-OOC-CH3 V-3

8367. 38713-13-2 0 1 0 2-Undecanol, 6,10-dimethyl- H-[CH2-CH(CH3)-(CH2)2]2-CH2-CHOH-CH3

II.A-5

8368. 112-12-9 1 1 1 2-Undecanone {methyl nonyl ketone} H3C-(CH2)8-CO-CH3 III-13

8369. 1604-34-8 1 1 1 2-Undecanone, 6,10-dimethyl-

{tetrahydrogeranylacetone}

III-13

8370. 0 1 0 6-Undecanone H3C-(CH2)4-CO-(CH2)4-CH3 III-13

8371. 141-10-6 1 1 1 3,5,9-Undecatrien-2-one, 6,10-dimethyl- {pseudoionone}

III-13

8372. 3548-78-5 0 1 0 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)- {pseudoionone}

III-13

8373. 13927-47-4 0 1 0 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)- {pseudoionone}

III-13

8374. 112-45-8 0 1 0 10-Undecenal III-12

8375. 821-95-4 1 0 0 1-Undecene H3C-(CH2)8-CH=CH2 1.B-1

8376. 31613-73-7 0 1 0 5-Undecene, 5-methyl- H3C-(CH2)4-CH=C(CH3)-(CH2)3-CH3

1.B-1

8377. 129777-22-6 0 1 0 5-Undecene-2,10-dione, 4-hydroxy-4-methyl-7-(1-methylethyl)-, (E)-

II.A-5, III-13

8378. 692-86-4 0 1 0 10-Undecenoic acid, ethyl ester V-3

302


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8379. 29093-90-1 0 1 0 5-Undecen-2-one, 10-hydroxy-6,10-dimethyl- II.A-5, III-13

8380. 160115-56-0 0 1 0 6-Undecen-2-one, 10-(acetyloxy)-8,11-dihydroxy-8-methyl-5-(1-methylethyl)-11-(tetrahydro-5-hydroxy-2-methyl-2-furanyl)-

II.A-5, III-13, V-3, X-2

8381. 7440-61-1 1 1 1 Uranium U XX-5

8382. 13966-29-5 0 1 0 Uranium, isotope of mass 234 234

U XX-5

8383. 57-13-6 1 1 1 Urea H2N-CO-NH2 XIII-1

8384. 3060-89-7 1 1 1 Urea, N’-(4-bromophenyl)-N’-methoxy-N’-methyl- {Metobromuron®; Patoran®}

XVIII.B-3, XXI-3

Br NH-CO-N

OCH3

CH3

8385. 19937-59-8 0 1 0 Urea, N'-(3-chloro-4-methoxyphenyl)-N,N-dimethyl- {Metoxuron®}

XXI-3

8386. 1746-81-2 1 1 1 Urea, N’-(4-chlorophenyl)-N-methoxy-N-methyl-

{Linuron®, 30% of Molipan®}

XVIII.B-3, XXI-3

8387. 35367-38-5 1 1 1 Urea, 1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)- {Diflubenzuron®}

XXI-3

8388. 330-55-2 1 1 1 Urea, N’-(3,4-dichlorophenyl)-N-methoxy-N-methyl- {Monolinuron®, 20% of Molipan®}

XVIII.B-3, XXI-3

8389. 150-68-5 0 1 0 Urea, 1,1-dimethyl-3-(4-chlorophenyl) {Monuron®}

XVIII.B-3, XXI-3

8390. 330-54-1 0 1 0 Urea, 1,1-dimethyl-3-(3,4-dichlorophenyl) {Diuron®}

Cl NH-CO-N

CH3

CH3

Cl

XVIII.B-3, XXI-3

8391. 97-59-6 0 1 0 Urea, (2,5-dioxo-4-imidazolidinyl)- {allantoin} XIII-1, XVII.A-4

O

NHHN

H2N

O

ONH

8392. 9002-13-5 0 1 0 Urease XXII-2

8393. 58-96-8 0 1 0 Uridine O

O NO

OHOH

HOCH2

HN

II.A-5, X-2

8394. 133-89-1 0 1 0 Uridine 5'-(trihydrogen diphosphate), P'-α-D-glucopyranosyl ester

V-3

8395. 3616-06-6 0 1 0 Uridine 5'-(trihydrogen diphosphate), P'-α-D-xylopyranosyl ester

V-3

8396. 19253-25-9 0 1 0 Uridine 5'-(trihydrogen pyrophosphate), mono(6-deoxymannopyranosyl) ester

V-3

303


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8397. 58-97-9 0 1 0 5'-Uridylic acid

HO OH

OP

O

HO

OH

ON

NHO

O

IV.A-3, V-3

8398. 9026-22-6 0 1 0 Uridylyltransferase, glucose 1-phosphate XXII-2

8399. 94414-19-4 0 1 0 Urs-12-en-28-oic acid, 3,23-dihydroxy-, (3β,4α)- II.A-5, IV.A-3

8400. 77-52-1 0 1 0 Urs-12-en-28-oic acid, 3-hydroxy-, (3β)- II.A-5, IV.A-3

8401. 638-95-9 1 1 1 Urs-12-en-3-ol, (3β)- {α-amyrin}

HO

H3C CH3

H3C

CH3

CH3 CH3

CH3

H3C

II.A-5

8402. 7004-03-7 1 1 1 Valine (H3C)2=CH-CH(NH2)-COOH

IV.A-3, IV.B-7

8403. 72-18-4 0 1 0 L-Valine IV.A-3, IV.B-7

8404. 0 1 0 L-Valine, N-(1-deoxy-D-fructos-1-yl)- X-2

8405. 102851-06-9 0 1 0 Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-, cyano(3-phenoxyphenyl)methyl ester {Fluvalinate®}

Cl

F3C CH3H3C

NH

O CN

OO


8406. 7440-62-2 1 1 1 Vanadium V XX-5

8407. 1314-62-1 0 1 0 Vanadium pentoxide V2O5 XX-6

8408. 12001-76-2 0 1 0 Vitamin B II.A-5

8409. 7732-18-5 1 1 1 Water H2O XIX-5

8410. 92-83-1 1 0 0 9H-Xanthene {dibenzopyran}

O

9

X-2

8411. 6279-07-8 1 0 0 9H-Xanthene, 2-methyl- X-2

8412. 90-47-1 0 1 0 9H-Xanthen-9-one {xanthone}

O

O

III-13

8413. 9014-63-5 0 1 0 Xylan II.A-5, VIII-3

8414. 0 1 0 Xylan, 4’-O-methylglucuronyloxy)- II.A-5, VIII-3

8415. 9025-57-4 0 1 0 Xylanase, endo-1,4-β- XXII-2

8416. 87-99-0 0 1 0 Xylitol OH

OH

HO

HO-H2C

II.A-5

8417. 82796-87-0 1 0 0 D-Xylonic acid, δ-lactone II.A-5, VI-3

8418. 25990-60-7 1 1 1 Xylose O

OH

OH

OH

HO

I.A-5, X-2

8419. 31178-70-8 0 1 0 α-D-Xylose II.A-5, X-2

8420. 31178-71-9 0 1 0 β-d-Xylose II.A-5, X-2

304


CAS No.

S

T

S

T


Selected structures

Chapter

Table

8421. 0 1 0 β-Xylosidase XXII-2

8422. 7440-64-4 1 1 1 Ytterbium Yb XX-5

8423. 7440-65-5 1 1 1 Yttrium Y XX-5

8424. 10098-91-6 0 1 0 Yttrium, isotope of mass 90 90

Y XX-5

8425. 7440-66-6 1 1 1 Zinc Zn XX-5

8426. 12122-67-7 0 1 0 Zinc, [[1,2-ethanediylbis[carbamodithioato]](2-)]- {Zineb®}

XVIII.A-1, XX-5, XXI-3

S- S-

Zn2+

S S

NHHN

8427. 18920-65-5 0 1 0 Zinc, bis(thiocarbamato)- XVIII.A-1, XX-6

8428. 23713-49-7 0 1 0 Zinc, ion Zn+2

XX-5

8429. 13982-39-3 1 1 1 Zinc, isotope of mass 65 65

Zn XX-5

8430. 7440-67-7 1 1 1 Zirconium Zr XX-5

Totals 5315

4994

1879

There were 292 partially identified isomers listed in the preceding index. Thus, the number of identified/partially identified components in tobacco and tobacco smoke totals 8622 (8430 + 292 - 100).

tobacco

Documents

tobacco components

tobacco smoke components

identified tobacco

tobacco ingredients

tobacco substitute smoke

tobacco products

chemical components

tobacco smoking process