ABSTRACT
N H
N
N 1,2,4-Triazole
Pyrrolidine
R 3-Pyrrolines
FIGURE 17.1 Representative structures of the four-and five-membered N-containing ring compounds in tobacco, tobacco smoke, and tobacco substitute smoke.
Amino Acid CAS No. References
Amino acids Kato et al. (2048, 2049), Kosuge et al. (2178a), Masuda et al. (2486), Nebert et al. (2688a)
Alanine 107-95-9 Matsumoto et al. (2491b)
Arginine 74-79-3 Matsumoto et al. (2491b)
Asparagine 7006-34-0 Matsumoto et al. (2491b)
Cysteine 52-90-4 Matsumoto et al. (2491b)
Cystine 24645-67-8 Matsumoto et al. (2491b)
Glutamic acid 6899-05-4 Matsumoto et al. (2491b), Ohgaki et al. (2849b), Sugimura (3828a), Takeda et al. (3863a), Takayama et al. (3862b), Yamamoto et al. (4365a)
Glutamine 56-85-9 Matsumoto et al. (2491b)
Histidine 71-00-1 Matsumoto et al. (2491b), Smith et al. (3722a)
Histidine, 3-methyl-Smith et al. (3722a)
Lysine 56-87-1 Matsumoto et al. (2491b), Wakabayashi et al. (4102a)
Methionine 63-68-3 Matsumoto et al. (2491b)
Ornithine 70-26-8 Matsumoto et al. (2491b)
Ornithine, N5-(aminocarbonyl)- {citrulline}
372-75-8 Matsumoto et al. (2491b)
Phenylalanine 63-91-2 Matsumoto et al. (2491b), Sugimura et al. (3829)
Serine 6898-95-9 Kato et al. (2048), Matsumoto et al. (2491b)
Threonine 72-19-5 Matsumoto et al. (2491b)
Tryptophan 73-22-3 Hosaka et al. (1835a), Matsukura et al. (2491a), Matsumoto et al. (2491b), Negishi and Hayatsu (2689a), Sugimura et al. (3829), Takayama et al. (3862d), Yamazoe et al. (4370a), Yoshida and Matsumoto (4390)
Tyrosine 60-18-4 Matsumoto et al. (2491b)
Valine 7004-03-7 Matsumoto et al. (2491b)
Component
Number of Identified Five-Membered N-Containing Ring Compounds in Tobacco and Tobacco Smoke
Total Smoke Tobacco Smoke and Tobacco
Pyrroles 116 88 50 22
Pyrrolidines 79 64 36 21
Pyrrolines 28 23 7 2
Pyrazoles 16 13 3 0
Imidazoles 62 57 8 3
Imidazolidines 10 8 3 1
Imidazolines 3 1 2 0
Triazoles 7 2 8 3
Totals 321 256 117 52
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
1. 43121-43-3 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl1-(1,2,4-triazol-1-yl)- {Triadimefon®}
O
Cl
O N N
N
2. 2433-57-0 3-Buten-2-one, 4-(1H-pyrrol-2-yl)-, (E)- 2775, 4249
3. Ethanone, 1-(alkyl-1H-pyrrolyl)- 2773, 4249
4. Ethanone, 1-(1,2-dihydro-1H-pyrrolyl)- 568b, 4249
5. Ethanone, 1-(1-ethyl-1H-pyrrol-3-yl)- 568b, 4249
6. Ethanone, 1-(methyl-1H-pyrrolyl)- 2543, 2761, 2765-2767, 2773, 3557, 4249
7. 13678-73-4 Ethanone, 1-[1-(2-furanylmethyl)-1H-pyrrol-2-yl]- 404, 568b, 3547, 3555, 4249
8. 20583-33-9 Ethanone, 1-(1H-pyrazol-3-yl)- 4249
9. 25016-16-4 Ethanone, 1-(1H-pyrazol-4-yl)- 984, 4249
10. 1072-83-9 Ethanone, 1-(1H-pyrrol-2-yl)- {2-acetylpyrrole; methyl 2-pyrrolyl ketone}
568b, 1360, 1371, 1375a, 1375, 1375b, 1428, 1586, 1587a, 2337, 2387, 2543, 2545, 2570, 2731, 2731, 2735, 2761, 2762, 2765-2767, 2773, 2775, 2777, 3059, 3266, 3397, 3410, 3444, 3553, 3555, 3557, 4249, 4407, 5811b
120, 404, 568b, 937, 965, 1063-1066, 1068-1074, 1590a, 1854, 2337, 2386, 2389, 2544, 2861a, 2862, 2917a, 2939, 3188, 3198, 3215, 3217, 3266, 3354, 3543, 3545, 3547, 3555, 3560, 3561, 3797, 3905, 3974a, 4249, 5811b
1360, 1375a, 2387
11. 1072-82-8 Ethanone, 1-(1H-pyrrol-3-yl)- {3-acetylpyrrole; methyl 3-pyrrolyl ketone}
568b, 1371, 1586, 1587, 2543, 2767, 2769, 2773, 2775, 3255, 3410, 3553, 3557, 4249
568b, 3549, 4249
12. 20970-50-7 Ethanone, 1-(1-methyl-1H-imidazol-5-yl)- 568b, 1587, 1590, 2775, 4249, 5811b
13. 37687-18-6 Ethanone, 1-(1-methyl-1H-pyrazol-4-yl)- 3553, 4249
14. 932-16-1 Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)- 568b, 1360, 1375a, 2387, 3491, 4249, 4570a, 5811b
568b, 984, 1248, 3201, 3215, 3491, 3974a, 4249
1360, 1375a, 2387
15. 932-62-7 Ethanone, 1-(1-methyl-1H-pyrrol-3-yl)- 568b, 1587, 3491, 4249, 4570a, 5811b
568b, 937, 1248, 3491, 3974a, 4249
16. 55041-85-5 Ethanone, 1-(2,3-dihydro-1H-pyrrolizin-5-yl)- 568b, 2543, 2773, 4249 568b, 3547, 4249
17. 19005-95-9 Ethanone, 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)- 2543, 2773, 4249
18. 85213-22-5 Ethanone, 1-(2,5-dihydro-1H-pyrrol-2-yl)- {2-acetylpyrroline}
2917a, 4249
19. Ethanone, 1-(2,5-dihydro-5-methyl-1H-pyrrol-3-yl)- 2767, 4249
20. 1500-94-3 Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)- 1375, 1375b, 2767, 3410, 3557, 4249
21. 78210-66-9 Ethanone, 1-(2-methyl-1H-imidazol-4-yl)- 568b, 1587, 4249, 5811b
(continued)
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
22. 60026-20-2 Ethanone, 1-(2-pyrrolidinyl)- {2-acetylpyrrolidine} 2727, 2775, 3410, 3491, 3650, 4159, 4249
937, 1154, 2095, 2389, 2544, 3219, 3491, 3550, 3560, 3561, 3974a, 4249
23. 72693-15-3 Ethanone, 1-(3-methyl-3H-pyrazol-4-yl)- 3553, 4249, 5811b
24. 72709-76-3 Ethanone, 1-(3-methyl-3H-pyrazol-4-yl)- 3553, 4249
25. 2524-90-5 Ethanone, 1-(4-methyl-1H-imidazol-2-yl)- 568b, 1351, 3553, 4249, 5811b
26. 23328-91-8 Ethanone, 1-(5-methyl-1H-imidazol-2-yl)- 568b, 4249
27. 6982-72-5 Ethanone, 1-(5-methyl-1H-pyrrol-2-yl)- {2-acetyl-5-methylpyrrole}
568b, 1375, 1375b, 1586, 1587a, 2337, 2570, 2767, 2775, 3553, 3557, 4159, 4249, 5811b
568b, 2337, 2389, 2544, 3205, 3219, 3491, 3543, 3560, 3561, 4249, 5811b
28. 78210-67-0 Ethanone, 1-(5-propyl-1H-imidazol-4-yl)- 568b, 1587, 4249, 5811b
29. 61891-76-7 Ethanone, 1-(dihydro-3,4-dimethylpyrrol-2-yl)- 568b, 3553, 4249
30. Formamide, N-(3-methylpyrrolyl-2-ethyl)- 568b, 4249
31. 29118-61-4 D-Fructose, 1-(2-carboxy-1-pyrrolidinyl)- 1-deoxy-, (S)-
434, 1063-1066, 10681074, 1351, 2337, 2339b, 3555, 3639, 3923, 3973, 3974a, 4159, 4249, 5811b
32. 61481-02-5 2-Furanmethanol, 5-(1-pyrrolidinylmethyl)- 3553, 4249
33. 61893-05-8 1H-Furo[2,3-d]imidazole, 2-methyl-
1351, 3553, 4249
34. 88476-94-2 Glycine, N-(1-nitroso-L-prolyl)- 3951, 4249
35. 7006-35-1 Histidine 429b, 3797, 4249, 5699, 5785, 5831
36. 71-00-1 L-Histidine
120, 158, 553, 622, 749, 751-756, 826a, 927, 1053, 1063-1066, 1068-1074, 1086, 1329, 1330, 1332, 1493, 1918, 1919, 1971, 2079, 2270, 2337, 2359, 2394a, 2453, 2532, 2597a, 2795, 2911c, 2914, 2939, 3266, 3491, 3499, 3705, 3780, 3797, 3973, 3974a, 3974b, 3975, 3978, 4224, 4226, 4244, 4249, 4359, 4398c, 5079, 5478, 5699, 5785, 5811b, 5831
37. 332-80-9 L-Histidine, 1-methyl-1083, 4249 1086, 1351, 2337, 2597a, 3491, 3797, 3972, 3974a, 4249
38. 368-16-1 L-Histidine, 3-methyl-1083, 4249 1086, 2597a, 4249
39. 62504-27-2 L-Histidine, N-(1-carboxyethyl)-, (R)- 3565, 4249
40. 288-32-4 1H-Imidazole {1,3-diazole} H N
N
568b, 1124a, 1360, 1375a, 1590, 2543, 2761, 2762, 2765-2767, 2773, 3255, 3553, 3559, 4249, 5811b
568b, 2079, 3215, 4249 1360, 1375a
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
41. 2466-76-4 1H-Imidazole, 1-acetyl-568b, 937, 3219, 3491, 4249
42. 1H-Imidazole, C3-alkyl-{three isomers detected}
568b, 3559, 4249
43. 1H-Imidazole, C4-alkyl-{five isomers detected}
568b, 3559, 4249
44. 1H-Imidazole, C5-alkyl-{four isomers detected}
568b, 3559, 4249
45. 50790-93-7 1H-Imidazole, butyl-568b, 1124a, 4249
46. 1H-Imidazole, 2-butyl-568b, 1351, 3255, 4249
47. 931-35-1 1H-Imidazole, 4,5-dihydro-2-ethyl-4-methyl-2359, 4249
48. 1739-84-0 1H-Imidazole, 1,2-dimethyl-568b, 1371, 2543, 2773, 2775, 3386, 3410, 3559, 4249
49. 6338-45-0 1H-Imidazole, 1,4-dimethyl-568b, 3255, 3559, 4249
50. 10447-93-5 1H-Imidazole, 1,5-dimethyl-568b, 3559, 4249
51. 930-62-1 1H-Imidazole, 2,4-dimethyl-568b, 1351, 1371, 1590, 2775, 3255, 3410, 3553, 3559, 4249, 5811b
52. 2302-39-8 1H-Imidazole, 4,5-dimethyl-568b, 1351, 1371, 3255, 3410, 3553, 3559, 4249, 5811b
53. 37455-73-5 1H-Imidazole, 1,4-dimethyl-2-(1-methylethyl)- 3559, 4249
54. 40688-28-6 1H-Imidazole, 2,4-dimethyl-5-(1-methylethyl)- 568b, 3553, 4249, 5811b
55. 1H-Imidazole, 2,5-dimethyl-4-(1-methylethyl)- 1351, 4249
56. 1H-Imidazole, 1,4-dimethyl-5-phenyl-2601a, 4249
57. 51-45-6 1H-Imidazole, 4-ethanamine 568b, 4249, 4437
58. 75614-87-8 1H-Imidazole-4-ethanamine, α-methylH N
N
CH3
NH2
5603, 5777
59. 1H-Imidazole, ethyl-1124a, 4249
60. 7098-07-9 1H-Imidazole, 1-ethyl-568b, 3559, 4249
61. 1072-62-4 1H-Imidazole, 2-ethyl-568b, 3386, 3559, 4249, 5811b
62. 19141-85-6 1H-Imidazole, 4-ethyl-568b, 1351, 2543, 2773, 3255, 3553, 3559, 4249
63. 21202-52-8 1H-Imidazole, 1-ethyl-2-methyl-3559, 4249
64. 931-36-2 1H-Imidazole, 2-ethyl-4-methyl-568b, 3559, 4249
65. 1H-Imidazole, 2-ethyl-4-(1-methylethyl)- 568b, 4249
66. 29239-89-2 1H-Imidazole, 4-ethyl-2-methyl-1351, 1590, 3553, 3559, 4249, 5811b
67. 37455-59-7 1H-Imidazole, 4-ethyl-2-(1-methylethyl)- 568b, 1351, 3410, 3553, 3559, 4249, 5811b
68. 37455-56-4 1H-Imidazole, 4-ethyl-2-propyl-3553, 4249
69. 1H-Imidazole, methyl-1371, 4249
70. 616-47-7 1H-Imidazole, 1-methyl-568b, 1351, 2543, 2767, 3255, 3386, 3410, 3553, 3559, 4249, 4570a, 5811b
71. 693-98-1 1H-Imidazole, 2-methyl-568b, 2773, 2775, 3255, 3386, 3398, 3410, 3559, 4249
72. 822-36-6 1H-Imidazole, 4-methyl-568b, 1351, 1590, 3255, 3398, 3410, 3553, 3559, 4249, 5811b
73. 37455-55-3 1H-Imidazole, 4-methyl-2-propyl-5553b, 5811, 5811a, 5811b
(continued)
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
74. 36947-68-9 1H-Imidazole, 2-(1-methylethyl)- 568b, 1351, 3553, 3559, 4249, 5811b
75. 58650-48-9 1H-Imidazole, 4-(1-methylethyl)- 568b, 1351, 3553, 3559, 4249, 5811b
76. 22509-02-0 1H-Imidazole, 1-methyl-2-(1-methylethyl)- 3559, 4249
77. 37455-52-0 1H-Imidazole, 2-methyl-4-(1-methylethyl)- 3559, 4249
78. 37455-58-6 1H-Imidazole, 4-methyl-2-(1-methylethyl)- 568b, 1351, 3410, 3553, 4249, 5811b
79. 61893-07-0 1H-Imidazole, 4-methyl-2-(1-methylpropyl)- 568b, 1351, 3553, 4249, 5811b
80. 61893-06-9 1H-Imidazole, 2-(1-methylpropyl)- 568b, 3553, 3559, 4249, 5811b
81. 61893-08-1 1H-Imidazole, 4-(2-methylpropyl)- 1351, 3553, 4249, 5811b
82. 1H-Imidazole, pentyl-1124a
83. 91491-09-7 1H-Imidazole, propyl-1124a, 4249, 5811b
84. 1842-63-3 1H-Imidazole, 1,2,4-trimethyl-3255, 3559, 4249
85. 20185-22-2 1H-Imidazole, 1,4,5-trimethyl-3559, 4249
86. 822-90-2 1H-Imidazole, 2,4,5-trimethyl-568b, 1351, 1590, 2775, 3255, 3553, 3559, 4249, 5811b
87. 10111-08-7 1H-Imidazole-2-carboxaldehyde 568b, 4249
88. 36734-19-7 1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)- 2,4-dioxo-{Iprodione®}
3585c, 3633, 3661a
89. 461-72-3 2,4-Imidazolidinedione {hydantoin} 568b, 3553, 4249, 5811b
90. 61893-10-5 2,4-Imidazolidinedione, 1-(1-methylethyl)- 3553, 4249, 5811b
91. 17374-27-5 2,4-Imidazolidinedione, 1,5-dimethyl-568b, 3553, 4249, 5811b
92. 61893-09-2 2,4-Imidazolidinedione, 1-ethyl-568b, 3553, 4249, 5811b
93. 63637-90-1 2,4-Imidazolidinedione, 3-(1-methylethyl)- 568b, 4249
94. 16935-34-5 2,4-Imidazolidinedione, 5-(1-methylethyl)- 568b, 2767, 3553, 4249, 5811b
95. 15414-82-1 2,4-Imidazolidinedione, 5-ethyl-568b, 2601a, 3553, 4249, 5811b
96. 616-04-6 2,4-Imidazolidinedione, 1-methyl-568b, 4249
97. 2,4-Imidazolidinedione, 3-methyl-568b, 4249
98. 616-03-5 2,4-Imidazolidinedione, 5-methyl-568b, 2767, 3255, 3553, 3557, 4249, 5811b
568b, 3561, 4249
99. 96-45-7 2-Imidazolidinethione {ethylenethiourea} 124, 568b, 3265, 3300, 3714, 4249, 5811b, 5869a
100. 61892-75-9 2H-Imidazol-2-one, 1,5-dihydro-5-methyl-568b, 3553, 4249, 5811b
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
101. 60-27-5 2H-Imidazol-2-one, 2-amino-1,5-dihydro5-methyl-{creatinine}
N N
O
CH3
NH2
751, 755, 756, 4249
102. 86-50-0 Phosphorodithioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester {Guthion®; Azinphos-Methyl®}
417, 419, 1457, 1884, 3302, 4249, 21A19
419, 1219a, 1219c, 1457, 1884, 2650b, 3381, 3973, 4249, 4271a, 21A19
103. 24017-47-8 Phosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester
2650a
{Triazophos®}
104. 961-22-8 Phosphorothioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl) methyl] ester
419, 3302, 4249 419, 4249
{Azinphos-Methyl-Oxon®}
105. 147-85-3 L-Proline
N H
COOH
1351, 1910, 1914, 1933, 2724, 2858, 2939, 3266, 3302, 3491, 3555, 3797, 4159, 4249, 4319, 5048
120, 158, 480, 486, 749, 751-756, 826a, 927, 1033, 1053, 1063-1066, 1068-1074, 1223, 1329, 1330, 1332, 1351, 1493, 1918, 1919, 1933a, 1971, 2133, 2270, 2337, 2394a, 2395, 2453, 2529, 2532, 2592, 2597a, 2795, 2858, 2911c, 2914, 2939, 3059, 3266, 3491, 3499, 3555, 3705, 3726, 3780, 3797, 3973, 3974a, 3974b, 3975, 3978, 3984, 4226, 4159, 4224, 4226, 4244, 4249, 4359, 4422, 5079, 5699, 5785, 5811b, 5827, 5831, 5881, 5896, 5905, 5907
(continued)
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
106. 147427-29-0 L-Proline, 1-[1-[1-(1-L-seryl-L-prolyl)-L-prolyl]- L-prolyl]-
107. L-Proline, N-(1-deoxy-D-fructos-1-yl)- 3639
108. Proline, hydroxy-5907
109. 18610-59-8 L-Proline, 1-hydroxy-1063-1066, 1068-1074, 1351, 2337, 2394a, 2597a, 3491, 3797, 3973, 3974a, 4224, 4226, 4249
110. 7519-36-0 L-Proline, 1-nitroso-{NPRO} 204-206, 486, 499, 509, 1058, 1673, 1695, 1719, 1870, 1871, 3256, 3260, 3300, 3943a, 3944-3946, 3951, 4249
466, 468, 485, 486, 498, 499, 511, 992, 1870, 1871, 3256, 3566, 3943a, 3944-3948, 3973, 4130, 4249
N COOH
NO
111. 35909-01-4 L-Proline, 1-nitroso-, methyl ester 3256, 3300 466, 485, 3256
COO-CH3N
NO
112. 62137-28-4 L-Proline, 4-[(O-β-L-arabinofuranosyl-(1→2)-O-βL-arabinofuranosyl-(1→2)-β-L-arabinofuranosyl) oxy]-, trans-
4249, 4429
113. 62137-29-5 L-Proline, 4-[(O-β-L-arabinofuranosyl-(1→3)-O-β-L-arabinofuranosyl-(1→2)-O-β-L-arabinofuranosyl-(1→2)-β-L-ar abinofuranosyl)oxy]-, trans-
4249, 4429
114. 51-35-4 L-Proline, 4-hydroxy-, trans-120, 1305a, 4249, 5811b
115. 30310-80-6 L-Proline, 4-hydroxy-1-nitroso-, trans-{NHPRO}
486, 3300, 3947, 3948, 4249, 5811b
116. 1073-26-3 1-Propanone, 1-(1H-pyrrol-2-yl)- 568b, 1586, 2767, 3553, 3557, 3650, 4249, 5811b
568b, 2389, 2544, 3547, 4249, 5811b
117. 496-49-1 2-Propanone, 1-(1-methyl-2-pyrrolidinyl)- 2917a, 4249
118. 288-13-1 1H-Pyrazole 279, 568b, 1580, 2773, 3410, 3555, 4249
568b, 1580, 4249
H N
N
119. 1H-Pyrazole, C2-alkyl-2773
120. 13808-64-5 1H-Pyrazole, 4-bromo-3-methyl-568b, 4249
121. 67771-72-6 1H-Pyrazole, dimethyl-1426, 1427, 3491, 4249
122. 2820-37-3 1H-Pyrazole, 3,4-dimethyl-568b, 1427, 4249
123. 67-51-6 1H-Pyrazole, 3,5-dimethyl-568b, 3410, 4249
124. 1131-16-4 1H-Pyrazole, 3,5-dimethyl-1-phenyl-4407, 4249
125. 66719-08-2 1H-Pyrazole, methyl-1667, 4249
126. 930-36-9 1H-Pyrazole, 1-methyl-568b, 4249
127. 1453-58-3 1H-Pyrazole, 3-methyl-568b, 1371, 2775, 3410, 4249, 5811b
128. 3347-62-4 1H-Pyrazole, 3-methyl-5-phenyl-3430, 4249, 5811b
129. 7554-65-6 1H-Pyrazole, 4-methyl-568b, 4249
130. 1072-91-9 1H-Pyrazole, 1,3,5-trimethyl-4407, 4249
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
131. 5519-42-6 1H-Pyrazole, 3,4,5-trimethyl-568b, 2773, 4249
132. 106398-69-0 Pyrrole, butyl-3854, 4249
133. 71607-59-5 Pyrrole, dihydromethyl-1153, 4249
134. Pyrrole, hydroxymethyl-1586, 4249
135. 109-97-7 1H-Pyrrole {azole} 38, 157, 172, 241, 299, 480, 568b, 722, 884, 920, 1078, 1083, 1084, 1099, 1140, 1215, 1244, 1245, 1263, 1339, 1348-1350, 1354, 1361, 1375a, 1416, 1418, 1416-1418, 1426-1428, 1445, 1580, 1586, 1589, 1590, 1634, 1639, 1744, 1842, 1857, 2088, 2170, 2270, 2343, 2382, 2493, 2543, 2545, 2570, 2628, 2629, 2636, 2724, 2765-2767, 2775, 2799a, 2857, 2912, 2939, 3255, 3266, 3324, 3308, 3397, 3398, 3499, 3505, 3530, 3553, 3559, 3797, 3854, 3887, 4159, 4249, 5034, 5079, 5359, 5512, 5811b
568b, 722, 984, 1053, 1063-1066, 1068-1074, 1086, 1244, 1580, 1590a, 2359, 2386, 2724, 2767, 2903, 2908, 2917a, 2939, 3224, 3266, 3797, 3973, 4249, 5079, 5811b
1354, 1375a
N H
136. 609-41-6 1H-Pyrrole, 1-acetyl-4249
137. 23105-58-0 1H-Pyrrole, 1-acetyl-2,3-dihydro-568b, 1587, 4249, 5811b
138. 38207-11-3 1H-Pyrrole, 1-acetyl-2-methyl-4249, 4633 2386, 3491, 4249
139. 1H-Pyrrole, 1-acetyl-3-methyl-4249 937, 3491, 4249
140. 589-33-3 1H-Pyrrole, 1-butyl-568b, 1587a, 3491, 3854, 4249, 5811b
141. 50691-30-0 1H-Pyrrole, 1-butyl-2-methyl-568b, 4249
142. 62672-96-2 1H-Pyrrole, 1-(1-cyclohexen-1-yl)- 568b, 2767, 2769, 4249
143. 28350-87-0 1H-Pyrrole, dihydro-3559, 4249, 5034, 5811b 5811b
144. 638-31-3 1H-Pyrrole, 2,3-dihydro-{2-pyrroline} 568b, 4249
145. 109-96-6 1H-Pyrrole, 2,5-dihydro-{3-pyrroline} 568b, 1078, 1084, 1140, 2724, 2889, 3491, 3559, 3797, 4249, 5811b
568b, 1877, 3491, 4249, 5811b
N H
146. 554-15-4 1H-Pyrrole, 2,5-dihydro-1-methyl-5811b 2270, 2939, 3444, 3491, 3797, 4249, 5811b
147. 5724-81-2 1H-Pyrrole, 3,4-dihydro-{1-pyrroline} 568b, 4249
148. 1H-Pyrrole, dimethyl-5034
149. 600-28-2 1H-Pyrrole, 2,3-dimethyl-568b, 2079, 4249
150. 625-82-1 1H-Pyrrole, 2,4-dimethyl-568b, 2079, 4249 568b, 984, 4249
151. 625-84-3 1H-Pyrrole, 2,5-dimethyl-299, 568b, 1063-1066, 1068-1074, 4249
568b, 984, 4249
152. 822-51-5 1H-Pyrrole, 3,4-dimethyl-2079, 4249
153. 2433-66-1 1H-Pyrrole, 2-ethenyl-984, 4249
154. 1H-Pyrrole, ethyl-5034
155. 617-92-5 1H-Pyrrole, 1-ethyl-314, 568b, 1587a, 3491, 3559, 3854, 4249
568b, 984, 4249
(continued)
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
156. 19983-83-6 1H-Pyrrole, 1-ethyl-2-methyl-568b, 4249
157. 1551-16-2 1H-Pyrrole, 2-ethyl-5770
158. 488-92-6 1H-Pyrrole, 3-ethyl-4-methyl-568b, 4249
159. 1H-Pyrrole, 3-ethyl-1-phenyl-1378, 4249 1378
160. 1H-Pyrrole, 4-ethyl-3-methyl-984, 4249
161. 1H-Pyrrole, 1-(2-furanyl)- 2731, 2735, 4249
162. 1438-94-4 1H-Pyrrole, 1-(2-furanylmethyl)- 568b, 1587a, 2727, 3410, 3491, 4249, 5811b
568b, 2336, 4249
163. 27417-39-6 1H-Pyrrole, methyl-3553, 3897, 4249, 5811b
164. 96-54-8 1H-Pyrrole, 1-methyl-299, 314, 568b, 1063-1066, 1068-1074, 1078, 1084, 1140, 1153, 1154, 1313, 1348-1350, 1354, 1375a, 1419, 1587a, 1589, 2387, 2506, 2507, 2543, 2545, 2570, 2724, 2765, 2767, 2777, 3398, 3491, 3530, 3797, 3854, 4249, 4360, 5770
120, 568b, 984, 1087, 1154, 2917a, 3491, 3973, 3974a, 4249, 5811b
1354, 1375a, 2387, 2506, 2507
165. 636-41-9 1H-Pyrrole, 2-methyl-222-224, 299, 1365, 1587, 1590, 3255, 3559, 4249, 5811b
5811b, 5906
166. 1H-Pyrrole, 2-methyl-1-phenyl-1378, 4249 1378
167. 616-43-3 1H-Pyrrole, 3-methyl-299, 3255, 4249
168. 1H-Pyrrole, 3-methyl-1-phenyl-1378, 4249 1378
169. 13679-79-3 1H-Pyrrole, 1-(3-methylbutyl)- 568b, 1587a, 2731, 2735, 3854, 4249, 5811b
568b, 1154, 3491, 4249
170. 66309-87-3 1H-Pyrrole, 1-(2-methyl-1-cyclohexen-1-yl)- 568b, 2767, 2769, 4249
171. 7057-97-8 1H-Pyrrole, 1-(1-methylethyl)- 1587a, 3491, 3854, 4249
172. 13678-52-9 1H-Pyrrole, 1-[(5-methyl-2-furanyl)methyl]- 568b, 1366, 4249
173. 78075-83-9 1H-Pyrrole, 2-methyl-1-(phenylmethyl)- 568b, 2767, 4249
174. 20884-13-3 1H-Pyrrole, 1-(2-methylpropyl)- 568b, 1587a, 3491, 3854, 4249, 5811b
5811b
175. 61480-97-5 1H-Pyrrole, 1-(1-oxobutyl)- 2767, 3553, 3557, 4249
176. 699-22-9 1H-Pyrrole, 1-pentyl-568b, 1587a, 3491, 3854, 4249, 5811, 5811a, 5811b
5811b
1551-12-8
177. 635-90-5 1H-Pyrrole, 1-phenyl-568b, 1375, 1375b, 1378, 2506, 2507, 2767, 4249, 5811b
1378, 2506, 2507
178. 50691-29-7 1H-Pyrrole, 1-(2-phenylethyl)- 568b, 1063-1066, 1068-1074, 2769, 3410, 4249
179. 5145-64-2 1H-Pyrrole, 1-propyl-568b, 1587a, 3491, 3854, 4249
180. 1551-08-2 1H-Pyrrole, 2-propyl-1157, 4249
181. 71646-51-0 1H-Pyrrolecarbonitrile, methyl-2526, 2761, 2767, 4249
182. 89145-04-0 1H-Pyrrolecarboxaldehyde 3905, 4249
183. 72692-79-6 1H-Pyrrolecarboxylic acid, ethyl ester 2767, 3553, 4249
184. 84499-92-3 1H-Pyrrole-1-acetic acid, 2-(ethoxymethyl)-5-formyl-4249, 4573a, 5811b
185. 61837-43-2 1H-Pyrrole-1-acetic acid, 2-ethyl-5-formylα-(2-methylpropyl)-
4249, 4573a
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
186. 60026-07-5 1H-Pyrrole-1-acetic acid, 2-formylα-(1-methylethyl)-
CHO
CH
HOOC
N
CH(CH3)2
965, 2544, 4249
187. 60026-08-6 1H-Pyrrole-1-acetic acid, 2-formylα-(1-methylpropyl)-
CHO
CH
HOOC
N
CH(CH3)-CH2-CH3
965, 2544, 4249
188. 60026-09-7 1H-Pyrrole-1-acetic acid, 2-formylα-(2-methylpropyl)-
CHO
CH
—HOOC CH2-CH (CH3)2
N
965, 2544, 4249
189. 1H-Pyrrole-1-acetic acid, 2-formyl5-hydroxymethyl-α-(2-methylpropyl)-
2337, 4249
190. 61837-42-1 1H-Pyrrole-1-acetic acid, 2-formyl-α,5-dimethyl-2544, 4249 191. 61837-35-2 1H-Pyrrole-1-acetic acid, 2-formyl-α-hexyl-2544, 4249 192. 60026-30-4 1H-Pyrrole-1-acetic acid, 2-formyl-α-methyl-2544, 4249 193. 61837-38-5 1H-Pyrrole-1-butanoic acid, 2-formyl-4249, 4573a
194. 61837-39-6 1H-Pyrrole-1-butanoic acid, 2-formyl-γ-methyl-4249, 4573a 195. 61837-44-3 1H-Pyrrole-1-butanoic acid, 2-formyl-5-methyl-4249, 4573a
196. 78249-88-4 1H-Pyrrole-1-carboxaldehyde, 1-methyl-5811, 5811a, 5811b
197. 61837-40-9 1H-Pyrrole-1-hexanoic acid, 2-formyl-4249, 4573a
198. 61837-41-0 1H-Pyrrole-1-octanoic acid, 2-formyl-4249, 4573a
199. 70898-32-7 1H-Pyrrole-1-octanoic acid, 2-formyl-5-methyl-4249, 4573a
200. 61837-37-4 1H-Pyrrole-1-propanoic acid, β-ethyl-2-formyl-4249, 4573a 201. 61837-36-3 1H-Pyrrole-1-propanoic acid, 2-formyl-β-methyl-4249, 4573a 202. 1H-Pyrrole-2-acetaldehyde, α-hydroxy-1587, 4249 203. 72693-01-7 1H-Pyrrole-2-acetaldehyde, α-oxo-568b, 1587, 4249, 5811b 204. 4513-94-4 1H-Pyrrole-2-carbonitrile 1365, 1371, 1586, 1587a, 2761,
2762, 2765, 2766, 2773, 3410, 3491, 3650, 4249, 5811b
205. 133829-71-7 1H-Pyrrole-2-carbonitrile, methyl-{two isomers}
1587a, 2761, 2762, 2765, 2766, 4249
(continued)
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
206. 26173-92-2 1H-Pyrrole-2-carbonitrile, 5-methyl-568b, 1587, 2543, 2761, 2765, 2766, 2773, 2775, 3491, 3650, 4249, 5811b
207. 1003-29-8 1H-Pyrrole-2-carboxaldehyde 568b, 1075, 1360, 1371, 1375a, 1586, 1587a, 1590, 2337, 2387, 2545, 2570, 2761, 2765-2767, 2773, 2775, 2777, 3255, 3410, 3491, 3553, 3557, 3650, 4249, 5811b
404, 568b, 937, 965, 1590, 2282, 2337, 2386, 2389, 2544, 2917a, 3198, 3219, 3491, 3547, 3549, 3550, 3905, 3974a, 4249
1360, 1375a, 2387
208. 13788-32-4 1H-Pyrrole-2-carboxaldehyde, 1-(2-furanylmethyl)- 404, 568b, 3547, 3555, 4249
209. 13678-79-0 1H-Pyrrole-2-carboxaldehyde, 1-(3-methylbutyl)- 568b, 937, 3491, 4249, 5811b
210. 1H-Pyrrole-2-carboxaldehyde, ethyl-1364, 1371, 4249
211. 2167-14-8 1H-Pyrrole-2-carboxaldehyde, 1-ethyl-568b, 2767, 3410, 4249
212. 1H-Pyrrole-2-carboxaldehyde, methyl-1370, 4249 2386, 4249
213. 1192-58-1 1H-Pyrrole-2-carboxaldehyde, 1-methyl-568b, 1587, 1587a, 1590, 2337, 2767, 3555, 4159, 4249
568b, 937, 965, 2337, 2339a, 2386, 2389, 2544, 3203, 3205, 3219, 3491, 3547, 3555, 3905, 4249
214. 29813-44-3 1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)- 1-methyl-
568b, 1587, 4249, 5811b 404, 568b, 4249
215. 52115-69-2 1H-Pyrrole-2-carboxaldehyde, 5-[(acetyloxy)methyl]- 4249, 4786a
216. 1192-79-6 1H-Pyrrole-2-carboxaldehyde, 5-methyl-568b, 1375, 1375b, 1586, 1587a, 2337, 2387, 2543, 2545, 2767, 2773, 3553, 3555, 3557, 4159, 4249
404, 568b, 2337, 2389, 2544, 3203, 3205, 3219, 3491, 3543, 3547, 3555, 3560, 3561, 4249
217. 4551-72-8 1H-Pyrrole-2-carboxamide 568b, 2767, 2775, 3553, 3557, 4249, 5811b
218. 634-97-9 1H-Pyrrole-2-carboxylic acid 568b, 1360, 1375a, 3553, 4249, 5811b
1360, 1375a
219. 3220-74-4 1H-Pyrrole-2-carboxylic acid, 2,5-dihydro-3797, 4249
220. 3757-53-7 1H-Pyrrole-2-carboxylic acid, 5-methyl-2767, 4249
221. 3284-51-3 1H-Pyrrole-2-carboxylic acid, 5-methyl-, ethyl ester
568b, 3553, 4249, 5811b
222. 1194-97-4 1H-Pyrrole-2-carboxylic acid, 5-methyl-, methyl ester
568b, 3553, 4249
223. 1193-62-0 1H-Pyrrole-2-carboxylic acid, methyl ester 1587a, 3650, 4249, 5811b 5811b
224. 1H-Pyrrole-3-acetonitrile 1586, 2767, 4249
225. 7126-38-7 1H-Pyrrole-3-carbonitrile 568b, 1375, 1375b, 1586, 2543, 2545, 2761, 2762, 2765, 2766, 2773, 2775, 3557, 4249
226. 17619-39-5 1H-Pyrrole-3-carboxaldehyde, 2-methyl-568b, 1371, 1586, 2543, 2767, 2773, 3410, 3553, 4249, 5811b
568b, 2544, 3549, 3550, 4249, 5811b
227. 103002-58-0 1H-Pyrrole-3-carboxaldehyde, 4,5-dihydro2-methyl-
4159b, 4249
228. 78210-62-5 1H-Pyrrole-3-carboxaldehyde, 5-ethyl-568b, 1587, 4249, 5811b
229. 936-12-9 1H-Pyrrole-3-carboxylic acid, 2-methyl-, ethyl ester
568b, 2543, 2773, 4249
230. 487-90-1 1H-Pyrrole-3-propanoic acid, 5-(aminomethyl)- 4-(carboxymethyl)-
4870, 4249
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
231. 541-59-3 1H-Pyrrole-2,5-dione {maleimide} 568b, 1580, 2775, 3553, 3557, 4249
568b, 1580, 2336, 2389, 2544, 3186, 3188, 3491, 3974a, 4249, 5811b
ON H
5 O
232. 1H-Pyrrole-2,5-dione, 1,3-dimethyl-4-ethyl-568b, 4249
233. 29720-92-1 1H-Pyrrole-2,5-dione, ethylmethyl-1586, 4249 937, 3491, 3560, 3561, 4249
234. 128-53-0 1H-Pyrrole-2,5-dione, 1-ethyl-568b, 1586, 2767, 4249
235. 5997-61-5 1H-Pyrrole-2,5-dione, 3-ethyl-568b, 1586, 4249
236. 15542-97-9 1H-Pyrrole-2,5-dione, 3-ethyl-1-methyl-568b, 4249
237. 61892-73-7 1H-Pyrrole-2,5-dione, 3-(hydroxymethyl)- 3553, 4249
238. 61892-71-5 1H-Pyrrole-2,5-dione, 3,4-bis(hydroxymethyl)- 1-methyl-
568b, 3553, 4249 568b, 2544, 3186, 4249
239. 17825-86-4 1H-Pyrrole-2,5-dione, 3,4-dimethyl-568b, 1075, 1364, 1586, 2545, 2570, 2767, 3553, 3557, 4249, 4407
404, 568b, 2389, 2544, 3215, 3491, 4249, 5811b
240. 61892-72-6 1H-Pyrrole-2,5-dione, 3-ethyl-4-(hydroxymethyl)- 3553, 4249 2544, 3186, 4249
241. 20189-42-8 1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl-568b, 1063-1066, 1068-1075, 1364, 2382, 2387, 2545, 2570, 2767, 3553, 3557, 4249, 4407, 5811b
404, 568b, 1590a, 2339a, 2386, 2389, 2544, 3215, 3491, 3543, 3547, 3549, 3550, 3560, 3561, 3905, 4249, 5811b
242. 1072-87-3 1H-Pyrrole-2,5-dione, 3-methyl-1375, 1375b, 1586, 2543, 2767, 2773, 3553, 3557, 4249, 4407, 5811b
243. 60026-19-9 1H-Pyrrole-2,5-dione, 3-propyl-2389, 2544, 3491, 4249
244. 3317-61-1 2H-Pyrrole, 3,4-dihydro-2,2-dimethyl-, 1-oxide {DMPO}
4249, 17A01
245. 121197-26-0 2H-Pyrrole-2,4(3H)-dione, 3-butyl5-(2-methylpropyl)-
3429a, 4249 5811b
246. 121197-16-8 2H-Pyrrole-2,4(3H)-dione, 3-butyl-5-propyl-3429a, 4249 5811b
247. 121197-27-1 2H-Pyrrole-2,4(3H)-dione, 3,5-bis(2-methylpropyl)-
3429a, 4249
248. 121197-23-7 2H-Pyrrole-2,4(3H)-dione, 3,5-dibutyl-3429a, 4249 5811b
249. 121197-14-6 2H-Pyrrole-2,4(3H)-dione, 3,5-dipropyl-3429a, 4249 5811b
250. 121197-21-5 2H-Pyrrole-2,4(3H)-dione, 5-(2-methylpropyl)- 3-propyl-
3429a, 4249 5811b
251. 121197-24-8 2H-Pyrrole-2,4(3H)-dione, 5-butyl3-(2-methylpropyl)-
3429a, 4249 5811b
252. 121213-26-1 2H-Pyrrole-2,4(3H)-dione, 5-butyl-3-propyl-3429a, 4249 5811b
253. 72692-82-1 1H-Pyrrolemethanol 1586, 4249
254. 123-75-1 Pyrrolidine 222-224, 568b, 1078, 1083, 1084, 1099, 1137, 1140, 1445, 1744, 1842, 1999, 2088, 2724, 2734, 2749, 2799a, 2883, 2889, 3059, 3255, 3302, 3308, 3444, 3491, 3505, 3797, 5034, 5079, 5512, 5811b
120, 289, 480, 568b, 1086, 1087, 2001, 2270, 2283, 2746, 2889, 2939, 3444, 3491, 3973, 3974a, 5079, 5811b, 17B11
N H
(continued)
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
255. 71607-78-8 Pyrrolidine, diethyl-2601a, 4249
256. 71607-79-9 Pyrrolidine, dimethyl-2889, 3491, 4249
257. Pyrrolidine, 2,5-dimethyl-, 1-nitroso-2884, 4249
258. 71607-80-2 Pyrrolidine, ethyl-2767, 4249
259. 4030-18-6 Pyrrolidine, 1-acetyl-568b, 1371, 2543, 2570, 2773, 2775, 3553, 4249, 5811b
568b, 2336, 2386, 2389, 2544, 3491, 4249, 5811b
260. 767-10-2 Pyrrolidine, 1-butyl-568b, 4249
261. 7335-06-0 Pyrrolidine, 1-ethyl-568b, 2767, 4249
262. Pyrrolidine, methyl-5034
263. 120-94-5 Pyrrolidine, 1-methyl-568b, 1078, 1083, 1084, 1099, 1140, 1744, 1842, 2001, 2079, 2170, 2524, 2724, 2889, 3059, 3255, 3444, 3491, 4249, 5079, 5512, 5811b
120, 480, 568b, 984, 1086, 1087, 2001, 2270, 2939, 3444, 3491, 3797, 3973, 3974a, 4249, 4837a, 5079, 5329, 5382, 5403, 5811b
264. 930-55-2 Pyrrolidine, 1-nitroso-{NPYR} 28, 30, 31, 50, 64, 126, 126a, 126b, 172, 203, 237, 239, 467, 478, 480, 486, 514, 572, 573, 576, 603, 649, 746c, 1058, 1099, 1148, 1217, 1373, 1428, 1445, 1567a, 1580, 1674, 1685, 1691-1693, 1725, 1727, 1740, 1741, 1743, 1744, 1773, 1781, 1808, 1842, 1870, 1871, 1885, 2118, 2133, 2134a, 2142, 2325, 2404, 2405, 2516, 2561, 2686, 2724, 2750, 2825, 2879, 2884, 2990, 2991, 3190, 3255-3257, 3260, 3265, 3300, 3308, 3343, 3370, 3378, 3491, 3714, 3943a, 3944-3946, 3951, 3952, 3976, 3992, 3994, 4010, 4011, 4249, 4332, 5508, 5512, 5811b, 5869a
172, 463, 468, 466, 478, 486, 498, 514, 993, 1567a, 1685, 1712, 1727, 1740, 1741, 1743, 1744, 1870, 1871, 2139, 2686, 2990, 3943a, 3944-3948, 4010, 4249, 5001, 5496, 5811b
50 (0)
N
NO
265. 33527-93-4 Pyrrolidine, 1-(1-oxobutyl)- 568b, 4249
266. 7335-07-1 Pyrrolidine, 1-propyl-568b, 2767, 4249
267. 61893-12-7 Pyrrolidine, 1-(2-furanylmethyl)- 568b, 3410, 3553, 3559, 4249
268. 78504-05-9 Pyrrolidine, 1-(2-furoyl)- 568b, 4249
269. Pyrrolidine, 1-(2-furoyk-5-methyl)- 568b, 4249
270. 60026-17-7 Pyrrolidine, 1-(3-methyl-1-oxobutyl)- 568b, 2389, 2544, 4249
271. 61480-99-7 Pyrrolidine, 1-[(5-methyl-2-furanyl)methyl]- 568b, 3410, 3553, 3559, 4249
272. Pyrrolidine, 2-acetyloxy-methyl-2767, 4249
273. 13603-04-8 Pyrrolidine, 2,4-dimethyl-2889, 4249
274. 3378-71-0 Pyrrolidine, 2,5-dimethyl-568b, 2889, 4249
275. 1003-28-7 Pyrrolidine, 2-ethyl-2889, 3491, 4249, 5811b 5811b
276. Pyrrolidine, 2-ethyl-1-methyl-568b, 4249
277. 765-38-8 Pyrrolidine, 2-methyl-568b, 1140, 2724, 2734, 2749, 2889, 3308, 3491, 3797, 4249, 5811b
568b, 3797, 3974a, 4249, 5906
278. 34375-89-8 Pyrrolidine, 3-methyl-2889, 4249
279. 28882-68-0 Pyrrolidinecarboxylic acid 2767, 4249
280. 32389-40-5 Pyrrolidinecarboxylic acid, oxo-, (S)- 4249, 4543
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
281. 29134-29-0 1-Pyrrolidineacetonitrile 568b, 1063-1066, 1068-1074, 1371, 1587, 3410, 3559, 4249, 5811b
282. 35543-25-0 1-Pyrrolidinebuyronitrile 568b, 4249
283. 1530-88-7 1-Pyrrolidinecarbonitrile 568b, 4249
284. 3760-54-1 1-Pyrrolidinecarboxaldehyde 568b, 1371, 2543, 2773, 2775, 3410, 3553, 4249, 5811b
404, 568b, 2389, 2544, 3491, 4249, 5811b
285. 78914-62-2 1-Pyrrolidinecarboxaldehyde, 2-methyl-, (R)- 568b, 3553, 4249 568b, 2554, 4249
286. 56879-46-0 2-Pyrrolidineacetic acid 1351, 2337, 2722, 3491, 3797, 3974a, 4249, 5873
287. 2-Pyrrolidineacetic acid, 1-nitroso-486, 4249
288. 61480-98-6 2-Pyrrolidinecarboxaldehyde 568b, 2544, 4249
289. 61892-97-5 2-Pyrrolidinemethanol, 5-methyl-5811, 5811a, 5811b
290. 28115-37-9 2-Pyrrolidinemethanol, 5-methyl-, cis-568b, 2767, 4249
291. 14498-44-3 2-Pyrrolidinepropanol, 1-methyl-2387, 4249 2387
292. 60026-15-5 3-Pyrrolidinecarboxaldehyde, 2-methyl-2389, 2544, 3491, 4249
293. 121197-25-9 2,4-Pyrrolidinedione, 3-butyl-5-propylidene-3429a, 4249 5811b
294. 121197-20-4 2,4-Pyrrolidinedione, 5-butyl-3-propylidene-3429a, 4249 5811b
295. 121197-28-2 2,4-Pyrrolidinedione, 3-butylidene5-(2-methylpropyl)-
3429a, 4249 5811b
296. 121197-18-0 2,4-Pyrrolidinedione, 3-butylidene-5-propyl-3429a, 4249 5811b
297. 121197-17-9 2,4-Pyrrolidinedione, 5-(2-methylpropyl)- 3-(2-methylpropylidene)-
3429a, 4249 5811b
298. 121197-22-6 2,4-Pyrrolidinedione, 5-(2-methylpropyl)- 3-propylidene-
3429a, 4249 5811b
299. 121197-19-1 2,4-Pyrrolidinedione, 3-(2-methylpropylidene)- 5-propyl-
3429a, 4249 5811b
300. 121197-15-7 2,4-Pyrrolidinedione, 5-propyl-3-propylidene-3429a, 4249 5811b
301. 123-56-8 2,5-Pyrrolidinedione {succinimide} 568b, 1360, 1371, 1375, 1375a, 1375b, 1580, 1586, 2387, 2543, 2545, 2570, 2601a, 2761, 2762, 2765-2767, 2773, 2775, 2777, 3410, 3553, 3557, 4249, 4407, 5811b
568b, 1580, 2389, 2544, 3215, 3491, 3550, 3974a, 4249, 5811b
1360, 1375a, 2387
O ON H
302. 15542-96-8 2,5-Pyrrolidinedione, 1,3-dimethyl-568b, 1360, 1375, 1375a, 1375b, 1586, 2570, 2767, 3553, 3557, 4249, 5811b
1360, 1375a
303. 33425-47-7 2,5-Pyrrolidinedione, 3,4-dimethyl-1375, 1375b, 1586, 2761, 2762, 2773, 2775, 3553, 4249, 5811b
304. 5835-19-8 58467-27-9
2,5-Pyrrolidinedione, 3-ethyl-568b, 1364, 1375, 1375b, 1586, 2767, 3553, 3557, 4249, 5811b
305. 2,5-Pyrrolidinedione, ethylmethyl-1586, 2767, 4249
306. 15542-97-9 2,5-Pyrrolidinedione, 3-ethyl-1-methyl-568b, 3255, 3553, 4249, 5811b 568b, 2389, 2544, 3491, 4249, 5811b
307. 77-67-8 2,5-Pyrrolidinedione, 3-ethyl-3-methyl-568b, 3553, 4249 404, 568b, 4249
(continued)
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
308. 58501-92-1 2,5-Pyrrolidinedione, 3-ethyl-4-methyl-568b, 1375, 1375b, 3553, 3557, 4249, 5811, 5811a, 5811b
568b, 937, 2339a, 2389, 2544, 3215, 3491, 3550, 3767a, 4249, 5811, 5811a, 5811b
309. 16824-61-6 2,5-Pyrrolidinedione, 3-ethyl-4-methyl-, (Z)- 1586, 2767, 3553, 3557, 4249 937, 1256, 2544, 3561, 4249
310. 15510-11-9 2,5-Pyrrolidinedione, 3-ethyl-4-methyl-, (E)- 5811b
311. 2,5-Pyrrolidinedione, 3-ethylene-4-methyl-568b, 1375, 4249
312. 14156-12-8 2,5-Pyrrolidinedione, 3-ethylidene-568b, 3553, 3557, 4249, 5811b
313. 61892-74-8 2,5-Pyrrolidinedione, 3-ethylidene-1-methyl-568b, 1375, 1375b, 3553, 4249
314. 16395-79-2 2,5-Pyrrolidinedione, 3-ethylidene-4-methyl-568b, 1375, 1375b, 2570, 3553, 3557, 4249
568b, 2389, 2544, 3491, 3550, 4249, 5811b
315. 28098-82-0 2,5-Pyrrolidinedione, 3-ethylidene-4-methyl-, (E)- 5811b
316. 18366-19-3 2,5-Pyrrolidinedione, 3-hydroxy-(S) 2767, 3553, 4249
317. 1121-07-9 2,5-Pyrrolidinedione, 1-methyl-568b, 1360, 1371, 1375, 1375a, 1375b, 1586, 2570, 2767, 3553, 3557, 4249, 5811b
404, 568b, 2386, 2389, 2544, 3491, 3550, 4249, 5811b
1360, 1375a
318. 5615-90-7 2,5-Pyrrolidinedione, 3-methyl-568b, 1063-1066, 1068-1074, 1371, 1375, 1375b, 1744, 2545, 2570, 2767, 2773, 2775, 3553, 3557, 4249, 5512, 5811b
568b, 2389, 2544, 3491, 3550, 4249, 5811b
319. 72693-03-9 2,5-Pyrrolidinedione, 3-(1-methylethyl)- 568b, 2767, 4249 568b, 3550, 4249
320. 15542-99-1 2,5-Pyrrolidinedione, 1-methyl-3-(1-methylethyl)- 568b, 3553, 4249
321. 71099-03-1 2,5-Pyrrolidinedione, 1,3,4-trimethyl-568b, 1586, 2767, 4249 568b, 2336, 4249
322. 28261-54-3 Pyrrolidinone 1375, 4249
323. 616-45-5 2-Pyrrolidinone 568b, 1350, 1354, 1371, 1375, 1375a, 1375b, 1586, 2545, 2570, 2761, 2765, 2766, 2773, 2775, 2857, 3255, 3386, 3398, 3410, 3553, 3557, 3559, 4249
568b, 2389, 2544, 3430, 3491, 3550, 3905, 3974a, 4249
1354, 1375a
N H
324. 932-17-2 2-Pyrrolidinone, 1-acetyl-568b, 4249
325. 2-Pyrrolidinone, 1,?-dimethyl-3553, 4249
326. 5075-92-3 2-Pyrrolidinone, 1,5-dimethyl-568b, 4249
327. 88-12-0 2-Pyrrolidinone, 1-ethenyl-568b, 4249
328. 2687-91-4 2-Pyrrolidinone, 1-ethyl-568b, 4249
329. 872-50-4 2-Pyrrolidinone, 1-methyl-568b, 2570, 2775, 3255, 3386, 3410, 3553, 3559, 4249, 5811b
404, 568b, 2339a, 2389, 2544, 3491, 3550, 3905, 4249, 5811b
330. 2555-05-7 2-Pyrrolidinone, 3-methyl-568b, 1360, 1375a, 1586, 2767, 3255, 4249
1360, 1375a
331. 2996-58-9 2-Pyrrolidinone, 4-methyl-3559, 4249 2917a, 4249
332. 108-27-0 2-Pyrrolidinone, 5-methyl-568b, 2570, 2767, 3553, 4249, 5811b
333. 61892-90-8 2-Pyrrolidinone, 1-(2-oxopropyl)- 568b, 3553, 4249
334. 98-79-3 5-Pyrrolidinone-2-carboxylic acid 2597a, 3052, 4249
{5-oxoproline}
335. 61892-89-5 3-Pyrrolidinone, 1-methyl-5-(2-oxopropyl)- 568b, 3553, 4249
336. 18028-53-0 2H-Pyrrolium, 3,4-dihydro-1-methyl-, chloride 4249, 4791
337. 54036-77-0 2H-Pyrrol-2-one 2387, 4249 2387
338. 61892-80-6 2H-Pyrrol-2-one, 1-acetyl-1,5-dihydro3-ethyl-4-methyl-
568b, 3553, 4249
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
339. 2H-Pyrrol-2-one, 1-acetyl-1,5-dihydro4-ethyl-3-methyl-
568b, 4249
340. 4031-15-6 2H-Pyrrol-2-one, 1,5-dihydro-1360, 1375a, 4249 1360, 1375a
341. 13950-21-5 2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-2917a, 4249
342. 78210-72-7 2H-Pyrrol-2-one, 1,5-dihydro-1-methyl5-(1-methylethylidene)-
568b, 1587, 4249, 5811b
343. 4030-23-3 2H-Pyrrol-2-one, 1,5-dihydro-3,4,5-trimethyl-568b, 1365, 2767, 3553, 4249, 5811b
344. 4030-22-2 2H-Pyrrol-2-one, 1,5-dihydro-3,4-dimethyl-568b, 1365, 2767, 2775, 3553, 4249, 5811b
345. 51088-90-5 2H-Pyrrol-2-one, 1,5-dihydro-3,5-dimethyl-568b, 3553, 4249, 5811b
346. 4030-24-4 2H-Pyrrol-2-one, 1,5-dihydro-3,5-dimethyl-4-ethyl-1063-1066, 1068-1074, 3553, 4249, 5811b
347. 2H-Pyrrol-2-one, 1,5-dihydro-4,5-dimethyl-3-ethyl-568b, 1063-1066, 1068-1074, 2775, 3553, 4249
348. 27406-77-5 2H-Pyrrol-2-one, 1,5-dihydro-3-methyl-568b, 2767, 2773, 2775, 3553, 3559, 4249, 5811b
349. 766-36-9 2H-Pyrrol-2-one, 1,5-dihydro-3-ethyl-4-methyl-568b, 1063-1066, 1068-1074, 3553, 3559, 4249, 5811b
350. 78210-71-6 2H-Pyrrol-2-one, 1,5-dihydro-3-ethyl-5-methylene-568b, 1586, 1587, 3559, 4249, 5811b
351. 115600-67-4 2H-Pyrrol-2-one, 1,5-dihydro-4-ethyl-3559, 4249
352. 766-45-0 2H-Pyrrol-2-one, 1,5-dihydro-4-ethyl-3-methyl-568b, 1063-1066, 1068-1074, 3553, 4249, 5811b
353. 53598-99-5 2H-Pyrrol-2-one, 1,5-dihydro-4-methyl-568b, 4249
354. 58-85-5 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aα,4β,6aα)]-
S
H N
N H
O
(CH2)4-COOH
2408a, 4249, 4789
355. 66246-88-6 1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)- {Penconazole®}
3633, 4249
N N
N
Cl Cl
(CH2)2
H3C
(continued)
References
CAS No. Name (per CA Collective Index) Tobacco Smoke Tobacco
Tobacco Substitute
Smoke
356. 55219-65-3 1H-1,2,4-Triazol-1-ethanol, 8-(4-chlorophenoxy)-α-(1,1-dimethylethyl)- {Triadimenol®}
928a
N N
N
Cl
O
CHOH-C(CH3)3
357. 122836-35-5 1H-1,2,4-Triazol-1-yl)phenyl) methane-sulfonamide, N-(2,4-dichloro-5-(4-(difluoromethyl)- 4,5-dihydro-3-methyl-5-oxo-{Methanesulfonamide, N-(2,4-dichloro-5(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo1H-1,2,4-triazol-1-yl)phenyl)-; Sulfentrazone®}
2913a
N
N
N CHF2
O
Cl
SO2
Cl
H3C
CH3
358. 97-59-6 Urea, (2,5-dioxo-4-imidazolidinyl)- {allantoin}
120, 2270, 3973, 5079, 5188, 5189, 5436, 5435
NH N
N HN
FIGURE 17.2 Porphyrin.
