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This list was compiled by searching all "simple" organic compounds (i.e. compounds with a single functional group) which have an
International chemical safety card
(ICSC), the idea being that such compounds are the most used in industry and their physical properties are easily accessible. The numbers quoted are the ICSC numbers.
Hydrocarbons
Hydrocarbons
Alkanes
Butane 0232
Start
Decane 0428
Stub
Ethane 0266
B-Class
N-Heptane
0657
Start see Heptane
N-Hexane
0279
Start see Hexane
Isobutane 0901
Start
Isoheptane
0658
see 2-Methylhexane
Isopentane 1153
Start
Methane 0291
Start
Methylcyclohexane 0923
2-Methylheptane 0731
2-Methylpentane 1262
3-Methylpentane 1263
Nonane 1245
Stub
Octane 0933
Start
N-Pentane
0534
Start see Pentane
Propane 0319
Start
2,2,4-Trimethylpentane 0496
Stub
Cycloalkanes
Cyclohexane 0242
Start
Cyclopentane 0353
Stub
Decahydronaphthalene
1548
Stub
Alkenes
1,3-Butadiene
0017
B-Class
1-Butene 0396
Isomers of butylene
2-Butene
0397*
Isomers of butylene
Cyclohexene 1054
Stub OLD TABLE
Cyclopentadiene 0857
Start
1-Decene
1477
1-Dodecene 1567
Ethylene 0475
B-Class
5-Ethylidene-2-norbornene 0473
1-Hexene 0490
Stub NO TABLE
Isobutene
1027
Isomers of butylene
Isoprene 0904
B-Class OLD TABLE
Alpha-Methylstyrene
0732
Trans-beta-Methylstyrene
0736
1,7-Octadiene 0606
1-Octene 0934
Start NO TABLE
Propylene 0559
Start
1-Tetradecene 1566
2,2,4-Trimethyl-1-pentene 0594
2,2,4-Trimethyl-2-pentene 0737
4-Vinylcyclohexene 1177
Alkynes
Acetylene 0089
B-Class
Propyne 0560
Stub see Methylacetylene
Aromatic hydrocarbons
Anthracene 0825
Start OLD TABLE
Benzene 0015
B-Class
Biphenyl 0106
Start OLD TABLE
Cumene 0170
Stub
P-Cymene 0617
Stub
o-Diethylbenzene 0445
Divinylbenzene 0885
Dodecylbenzene 0265
Ethylbenzene 0268
Start
1-Methylnaphthalene 1275
2-Methylnaphthalene 1276
Naphthalene 0667
B-Class
Styrene 0073
Start
O-Terphenol 1525
1,2,3,4-Tetrahydronaphthalene
1527
Toluene 0078
B-Class
1,2,3-Trimethylbenzene 1362
1,2,4-Trimethylbenzene 1433
1,3,5-Trimethylbenzene
1155
2-Vinyltoluene 0733
3-Vinyltoluene 0734
4-Vinyltoluene 0735
M-Xylene 0085
Stub SHORT TABLE
O-Xylene 0084
Stub SHORT TABLE
P-Xylene 0086
Stub SHORT TABLE
Carboxylic acids and derivatives
Other functional groups
Other functional groups
Alcohols
Allyl alcohol 0095
Stub OLD TABLE
Benzyl alcohol 0833
Start
1,2-Butanediol 0395
1,3-Butanediol 1182
1,4-Butanediol 1104
Start
1-Butanol 0111
Butanol
2-Butanol 0112
Butanol
Tert-Butanol
0114
Butanol
O-sec-Butylphenol 1472
P-tert-Butylphenol 0637
Catechol 0411
Start see Pyrocatechol
Cresol 0030
B-Class NO TABLE
Cyclohexanol 0243
Stub
1-Decanol 1490
Stub
Diacetone alcohol 0647
Ethanol 0044
A-Class
Ethylene glycol 0270
B-Class OLD TABLE
2-Ethylhexanol 0890
Stub
Glycerol 0624
B-Class OLD TABLE
1-Heptanol 1082
Stub
2-Heptanol 1083
1,6-Hexanediol 0491
2,5-Hexanediol 0280
1-Hexanol 1084
Stub
2-Hexanol 0488
Hexylene glycol
0660
Hydroquinone 0166
Start
Isoamyl alcohol 0798
Amyl alcohol
Isobutanol 0113
B-Class
Isodecyl alcohol 0495
Isooctyl alcohol
0497
DOUBLE REDIRECT
Isopropyl alcohol 0554
B-Class
Methanol 0057
B-Class
Methyl isobutyl carbinol
0665
2-Methyl-1-butanol 0506
1-Methylcyclohexanol 0293
2-Methylcyclohexanol 0294
3-Methylcyclohexanol 0295
4-Methylcyclohexanol 0296
2-Naphthol 0719
Neopentyl glycol 0305
Nonyl phenol
0309
1-Octanol 1030
Start Octanol
2-Octanol 1170
P-Octylphenol 1345
1-Pentanol 0535
Stub
3-Pentanol 0536
Phenethyl alcohol 0936
Phenol 0070
Start
O-Phenylphenol
0669
Start see 2-Phenylphenol
1-Propanol 0553
Start see Propan-1-ol
Propylene glycol 0321
Start NO TABLE
Resorcinol 1033
Start
O-tert-butylphenol 1549
1-Tridecanol 1176
3,5,5-Trimethylhexanol 0608
Undecyl alcohol
1539
2,4-Xylenol 0458
3,5-Xylenol 1356
Thiols
Benzenethiol
0463
Thiophenols
N-Butyl mercaptan
0018
Cyclohexanethiol 0032
1-Decanethiol 0035
1-Dodecanethiol 0042
Ethanethiol 0470
Stub
1-Hexadecanethiol
0025
N-Hexanethiol 1523
Methyl mercaptan
0299
Start see Methanethiol
2-Methyl-2-propanethiol 0019
N-Octyl mercaptan 1493
Tert-Octyl mercaptan 1494
1-Pentanethiol 1521
Ethers
Anisole 1014
Stub OLD TABLE
Bis(2-chloroethyl) ether
0417
N-Butyl ether 1150
Diallyl ether 1071
Diethyl ether 0355
B-Class
Diethylene glycol diethyl ether 1151
Diethylene glycol dimethyl ether
1357
Diisopropyl ether 0906
Stub NO TABLE
1,4-Dimethoxybenzene 1297
Dimethyl ether Stub
Diphenyl ether 0791
Dipropyl ether
0468
Ethylene glycol dibutyl ether 1149
Ethylene glycol diethyl ether
1569
Ethylene glycol dimethyl ether
1568
Start see Dimethoxyethane
2-Methoxy-2-methylbutane
1496
Vinyl ethyl ether 1261
Organic peroxides
Di-tert-butyl peroxide 1019
Dicumyl peroxide 1346
Organohalides
Allyl chloride 0010
Stub NO TABLE
Benzotrichloride 0105
Benzyl bromide 1225
Stub
Benzyl chloride 0016
Stub
Bromobenzene 1016
Stub
Bromochlorodifluoromethane 0635
Stub NO TABLE
Bromochloromethane 0392
Bromoethane 1378
Stub
Bromoform 0108
Stub
1-Bromopropane 1332
Carbon tetrabromide 0474
Stub see Tetrabromomethane
Carbon tetrachloride 0024
B-Class
Chlorobenzene 0642
Stub
1-Chlorobutane 0703
Chlorodifluoroethane 0643
Chlorodifluoromethane 0049
Stub
Chloroethane 0132
B-Class OLD TABLE
Chloroform 0027
B-Class
Chloroprene 0133
B-Class NO TABLE
O-Chlorostyrene
1388
2-Chlorotoluene
1458
4-Chlorotoluene
1386
Chlorotrifluoroethane 1299
Chlorotrifluoromethane 0420
Stub
1,2-Dibromo-3-chloropropane 0002
Dibromodifluoromethane 1419
2,2-Dichloro-1,1,1-trifluoroethane 1343
Dichloroacetylene 1426
1,2-Dichlorobenzene 1066
1,3-Dichlorobenzene 1095
1,4-Dichlorobenzene 0037
Start
Dichlorodifluoromethane 0048
Stub
1,1-Dichloroethane 0249
Start
1,2-Dichloroethane 0250
B-Class
1,2-Dichloroethylene
0436
Start see 1,2-Dichloroethene
Dichloromethane 0058
B-Class
Dichloromonofluoromethane
1106
1,1-Dichloropropane 0723
1,2-Dichloropropane 0441
1,3-Dichloropropane 0724
1,3-Dichloropropene 0995
Dichlorotetrafluoroethane
0649
Stub see 1,2-Dichlorotetrafluoroethane
Ethyl iodide 0479
Stub
Ethylene dibromide
0045
Start see 1,2-Dibromoethane
Hexabromocyclododecane 1413
Hexachlorobenzene 0895
Stub NO TABLE
Hexachlorobutadiene 0896
Hexachlorocyclohexane 0487
Hexachloroethane 0051
Hexachloronaphthalene 0997
Isobutyl chloride 0286
Lindane 0053
Start NO TABLE
Methyl bromide
0109
B-Class see Bromomethane
Methyl chloride
0419
B-Class see Chloromethane
Methyl iodide
0509
Start see Iodomethane
Octachloronaphthalene 1059
Pentachlorobenzene 0531
Pentachloroethane 1394
Pentachloronaphthalene 0935
Perfluoroisobutylene
1216
1,1,2,2-Tetrabromoethane
1235
1,1,2,2-Tetrachloro-1,2-difluoroethane
1421
1,1,1,2-Tetrachloro-2,2-difluoroethane
1420
1,2,4,5-Tetrachlorobenzene 0676
1,1,1,2-Tetrachloroethane 1486
1,1,2,2-Tetrachloroethane 0332
Tetrachloroethylene 0076
B-Class
Tetrachloronaphthalene 1387
1,1,1,2-Tetrafluoroethane 1281
Start
Tetrafluoromethane
0575
Stub
1,1,2-Trichloro-1,2,2-trifluoroethane 0050
2,3,4-Trichloro-1-butene 0587
1,2,3-Trichlorobenzene 1222
1,2,4-Trichlorobenzene 1049
1,3,5-Trichlorobenzene 0344
1,1,1-Trichloroethane 0079
B-Class OLD TABLE
1,1,2-Trichloroethane 0080
Stub
Trichloroethylene 0081
B-Class OLD TABLE
Trichlorofluoromethane 0047
Stub
Trichloronaphthalene 0962
1,2,3-Trichloropropane 0683
Trifluorochloroethylene
0685
Trifluoromethane
0577
Stub see Fluoroform
Vinyl bromide 0597
Vinyl chloride 0082
B-Class OLD TABLE
Vinyl fluoride 0598
Vinylidene chloride
0083
Stub see 1,1-Dichloroethene
Vinylidene fluoride
0687
Aldehydes
Acetaldehyde 0009
Start
Acrolein 0090
Stub
Benzaldehyde 0102
B-Class
Butyraldehyde 0403
Stub Butanal
Crotonaldehyde 0241
Ethylhexaldehyde 0621
Formaldehyde 0275
B-Class
Isobutyraldehyde 0902
Methacrylaldehyde
1259
Propionaldehyde 0550
Stub OLD TABLE
Valeraldehyde
1417
see Pentanal
Ketones
Acetone 0087
B-Class
Acetophenone 1156
Stub
Benzophenone 0389
Stub
P-Benzoquinone
0779
see 1,4-Benzoquinone
Cyclohexanone 0425
Start
Cyclopentanone 0427
Stub
Diisobutyl ketone 0713
Dipropyl ketone
1414
Ethyl n-butyl ketone 0889
2-Hexanone 0489
Methyl ethyl ketone
0179
Start see Butanone
Methyl isoamyl ketone 0815
Methyl isobutyl ketone 0511
Start
Methyl n-amyl ketone
0920
Methyl propyl ketone
0816
Stub see 2-Pentanone
Methyl tert-butyl ketone 1164
3-Methyl-2-butanone
0922
5-Methyl-3-heptanone 1391
1,4-Naphthoquinone 1547
Stub SHORT TABLE
2,4-Pentadione
0533
Start see Acetylacetone
3-Pentanone 0874
Stub
Amines
Allylamine 0823
Aniline 0011
Start
Anisidine 0970*
Start NO TABLE
Benzylamine 1338
Benzyldimethylamine
1340
N-Butylamine 0374
Sec-Butylamine 0401
Cyclohexylamine 0245
Di-n-butylamine
1337
Di-n-pentylamine 0537
Diallylamine 0866
1,3-Diaminobutane 1078
2,6-Diaminotoluene 0340
Dicyclohexylamine 1339
Diethylamine 0444
Diethylaminetriamine 0620
Diisobuylamine 1442
Diisopropylamine 0449
N,N-Dimethyl-p-toluidine 0456
Dimethylamine 0260
Start OLD TABLE
3-Dimethylaminopropylamine 1227
N,N-Dimethylaniline
0877
N,N'-Diphenyl-p-phenylenediamine 1181
Diphenylamine 0466
Stub NO TABLE
Dodecylamine 1364
Ethylamine 0153
Stub
N-Ethyl-N-benzylaniline 1550
N-Ethylaniline 1385
Ethylenediamine 0269
Start SHORT TABLE
Hexylamine 1443
Isobutylamine 1253
N-Isopropyl-N'-phenyl-p-phenylaminediamine 1108
Isopropylamine 0908
N-Isopropylaniline 0909
Methylamine 0178
Stub
N-Methylaniline 0921
1,5-Naphthalenediamine 0668
1-Naphthylamine 0518
2-Naphthylamine 0610
Octadecylamine 1365
N-Phenyl-1,4-benzenediamine 1446
N-Phenyl-1-Naphthylamine 1113
Phenyl-beta-naphthylamine 0542
M-Phenylenediamine 1302
Stub SHORT TABLE
O-Phenylenediamine 1441
Stub SHORT TABLE
P-Phenylenediamine 0805
Start NO TABLE
Propylamine 0941
Stub NO TABLE
Propylenediamine
0942
2,4-Toluenediamine 0582
Meta-Toluidine
0342
Toluidine
Ortho-Toluidine
0341
Toluidine
Para-Toluidine
0343
Toluidine
Tributylamine 1048
Triethylamine 0203
Start
Trimethylamine 0206
Start OLD TABLE
Triphenylamine 1366
2,4-Xylidine 1562
2,6-Xylidine 1519
Organohydrazines
1,1-Dimethylhydrazine
0147
1,2-Diphenylhydrazine
0263
Phenylhydrazine 0938
Nitro compounds
1,2-Dinitrobenzene 0460
1,3-Dinitrobenzene 0691
1,4-Dinitrobenzene 0692
2,3-Dinitrotoluene 0726
2,4-Dinitrotoluene 0727
2,6-Dinitrotoluene 0728
3,4-Dinitrotoluene 0729
Nitrobenzene 0065
Start
Nitrobiphenyl 1395
Nitromethane 0522
Start
2-Nitronaphthalene 1504
1-Nitropropane 1050
2-Nitropropane 0187
M-Nitrotoluene 1411
O-Nitrotoluene
0931
P-Nitrotoluene 0932
2,4,6-Trinitrotoluene
0967
B-Class OLD TABLE
Sulfonic acids
Dodecylbenzenesulfonic acid
1470
P-Toluenesulfonic acid 0773
Tosyl
Isocyanates
Cyclohexyl isocyanate 0856
Hexamethylene diisocyanate 0278
Start
Methyl isocyanate 0004
Start NO TABLE
Methylene bisphenyl isocyanate
0298
Start see Methylene diphenyl diisocyanate
Naphthalene 1,5-diisocyanate 0653
Phenyl isocyanate 1131
2,4-Toluene diisocyanate
0339
Start see Toluene diisocyanate
Toluene-2,6-diisocyanate
1301
see Toluene diisocyanate
Chloroformates
Benzyl chloroformate 0990
Stub OLD TABLE
Ethyl chloroformate 1025
Methyl chloroformate 1110
Organophosphates
Bis(2-ethylhexyl)phosphate 1412
Dibutyl phosphate 1278
Organosulfates
Diethyl sulfate 0570
Stub
Dimethyl sulfate 0148
Stub
Organocarbonates
Diethyl carbonate 1022
Dimethyl carbonate 1080
Organonitrates
Ethylene glycol dinitrate 1056
Stub NO TABLE
Pentaerythritol tetranitrate 1576
B-Class PETN
N-Propyl nitrate 1513
Propylene glycol dinitrate 1392
Epoxides
Butylene oxide
0636
Ethylene oxide 0155
B-Class OLD TABLE
Propylene oxide 0192
Stub NO TABLE
Styrene oxide 1201
Vinyl cyclohexene dioxide 0820
Heterocyclic compounds 
