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JECFA No Name Chem name Synonyms FEMA COE       CAS       Mol Wt  Formula   Physical form/odour Solubility Solubility in ethanol Boiling Point
(°C)
ID Test Assay min % Acid value max Refractive index Specific gravity Other requirements JECFA session
/spec
452 Methyl sulfide Dimethyl sulfide 2-Thiapropane; Thiobismethane 2746 483 75-18-3 62.14 C2 H6 S colourless to pale yellow liquid with unpleasant odour of wild radish, cabbage insoluble in water; soluble in ethyl alcohol and ethyl ether 1 ml in 1 ml 95% alcohol 37.3-37.5 IR 95   1.423-1.441 0.840-0.850   53rd/N
453 Methyl ethyl sulfide Methyl ethyl sulfide (Methylthio)ethane; 1-(Methylthio)ethane; 2-Thiabutane; Ethyl methyl sulfide; Ethyl methyl thioether 3860 11474 624-89-5 76.16 C3 H8 S colourless to pale yellow liquid with cabbage odour insoluble in water; soluble in alcohols and oils - 65-67 IR 98   1.389-1.399 0.842-0.847   53rd/N
454 Diethyl sulfide Diethyl sulfide Ethyl sulfide; 1,1'-Thiobisethane; 3-Thiapentane; Diethylthioether; Ethyl monosulfide; Ethyl thioether; Ethyl thiothane; Thioethyl ether; Sulfodor 3825 11450 352-93-2 90.20 C4 H10 S colourless to pale yellow liquid with ethereal odour insoluble in water; miscible in alcohol and oil - 92 IR 98   1.440-1.450 0.836-0.841   53rd/N
455 Butyl sulfide Dibutyl sulfide n-Butyl sulfide; Butylthiobutane; 1,1'-Thiobisbutane 2215 484 544-40-1 146.29 C8 H18 S colourless to pale yellow liquid with repulsive odour insoluble in water; soluble in ethyl alcohol and ethyl ether - 182-189 IR, NMR 99   1.448-1.458 0.834-0.843 (20)   53rd/N
456 1,4-Dithiane 1,4-Dithiane p-Dithiane; 1,4-Dithiacyclohexane; Tetrahydro-1,4-dithiin; Diethylene disulfide 3831   505-29-3 120.24 C4 H8 S2 white to off-white crystals slightly soluble in hot water;soluble in hot alcohol, oil - 199-200 IR, NMR 97   n/a n/a   53rd/N,T
457 (1-Buten-1-yl) methyl sulfide 1-Butenyl methyl sulfide   3820   32951-19-2 102.21 C5 H10 S pale yellow liquid with an unpleasant odour very soluble in alcohol - 123 - 98   1.393-1.413 0.943- 0.948   53rd/N,T
458 Allyl sulfide Diallyl sulfide Thioallyl ether; 2-Propenyl sulfide, 3,3'-Thiobispropene 2042 11846 592-88-1 114.21 C6 H10 S colourless to pale yellow liquid with garlic odour insoluble in water; miscible in ethyl alcohol and diethyl ether - 138-100 IR -   1.488-1.492 0.887-0.892    53rd/N,T
459 Methyl phenyl sulfide Methyl phenyl sulfide (Methylthio)benzene; 1-Phenyl-1-thioethane; Methyl phenyl thioether; Phenyl methyl sulfide; Phenylthiomethane; Thioanisol; Thioanisole 3873 11533 100-68-5 124.21 C7 H8 S colourless or slightly yellow liquid with unpleasant odour insoluble in water; soluble in alcohol and oil - 188-193 IR 98   1.532-1.551 0.958-0.968   53rd/N
460 Benzyl methyl sulfide Benzyl methyl sulfide Methyl benzyl sulfide; Methylthiomethylbenzene; alpha-(Methylthio)toluene 3597   766-92-7 138.23 C8 H10 S colourless liquid slightly soluble in water; soluble in fats - 197; 133 (4mm Hg); 87-88 (11mm Hg) IR, NMR 98   1.563-1.573 1.015-1.020   53rd/N
461 3-(Methylthio)propanol 3-(Methylthio)-1-propanol 3-Hydroxypropyl methyl sulfide; Methionol; Methyl 3-hydroxypropyl sulfide; (Methylmercapto)propyl alcohol; 3-(Methylthio)propyl alcohol 3415 11554 505-10-2 106.18 C4 H10 OS pale yellowish, mobile liquid; powerful sweet, soup or meat-like odour slightly soluble in water; soluble in alcohol, propylene glycol and oils - 195; 93-94 (17mm Hg) - 99   1.483-1.493 1.025-1.170   53rd/N,T
462 4-(Methylthio)butanol 4-(Methylthio)-1-butanol   3600   20582-85-8 120.21 C5 H12 OS sulfury,potato, or green vegetable odour soluble in water and fat - 62-67 (0.35-0.40 mm Hg) IR, NMR 98   1.488-1.498 -   53rd/N,T
463 3-(Methylthio)-1-hexanol 3-(Methylthio)-1-hexanol 3-(Methylmercapto)-1-hexanol 3438 11548 51755-66-9 148.26 C7 H16 OS colourless liquid with sulfurous onion, garlic green vegetable odour insoluble in water - 140-145; 130 (30 mm Hg); 61-62 (10 mm Hg) IR, NMR 97   1.474-1.489 0.964-0.974 (20)   53rd/N
464 2-Methyl-4-propyl-1,3-oxathiane 2-Methyl-4-propyl-1,3-oxathiane   3578 11540 67715-80-4 160.28 C8 H16  OS   - insoluble in water; miscible in alcohol and oil - 89-90 (12mm Hg) - 98   1.475-1.485 0.970-0.982 80-90% cis isomer 53rd/N,T
465 2-Methylthioacetaldehyde 2-(Methylthio)acetalde- hyde (Methylmercapto)acetaldehyde 3206 11686 23328-62-3 90.14 C3 H6 OS colourless liquid - - 70 IR, NMR 99   1.466 - max. 0.02% acetal; max. 0.08% methylene chloride 53rd/N,T
466 3-(Methylthio)propionaldehyde 3-(Methylthio)propionaldehyde Methional; beta-(Methylmercapto)propionaldehyde; 3-(Methylmercapto)propionaldehyde; beta-Methiopropionaldehyde; beta-(Methylthio)propionaldehyde 2747 125 3268-49-3 104.17 C4 H8 OS colourless to pale yellow liquid; powerful and diffusive onion and meat-like odour; in dilution, more pleasant, less onion-like, remniscient of boullion insoluble in water; soluble in alcohol, propylene glycol and oil 1 ml in 1 ml 95% alcohol 165-166 - 98 10.0 1.479-1.493 1.037-1.052   53rd/N,T
467 3-(Methylthio)butanal 3-(Methylthio)butanal 3-(Methylthio)butyraldehyde 3374 11687 16630-52-7 118.19 C5 H10 OS colourless to pale yellow liquid with green, musky, buchu odour insoluble in water; soluble in alcohol - 63-65 (10mm Hg); 80-92 (14mm Hg) - 96   1.473-1.517 0.998-1.170; 0.997 (20)   53rd/N,T
468 4-(Methylthio)butanal 4-(Methylthio)butanal 4-(Methylthio)butyraldehyde 3414 11542 42919-64-2 118.19 C5 H10 OS - - - - IR, NMR 99   - -   53rd/N,T
469 3-Methylthiohexanal 3-(Methylthio)hexanal 3-Methylthiohexaldehyde 3877   38433-74-8 146.25 C7 H14 OS clear colourless liquid insoluble in water; soluble in ethanol, triacetin and heptane 1 ml in 2 ml 70% alcohol 81 IR, NMR 95.8   1.475-1.485 0.967-0.968   53rd/N
470 2-(Methylthio)methyl-2-butenal 2-(Methylthiomethyl)-2-butenal 2-Ethylidenemethional 3601 11549 40878-72-6 130.21 C6 H10 OS slightly yellow liquid with odour of burnt matches, cooked cabbage, or roasted onion insoluble in water; soluble in fats - 77 (5mm Hg) IR 99   1.523-1.533 -   53rd/N,T
471 2,8-Dithianon-4-ene-4-carboxaldehyde 5-Methylthio-2-[(methylthio)methyl]-2-pentenal   3483 11904 59902-01-1 190.32 C8 H14 OS2 - slightly soluble in water - - - 98   1.557-1.567 1.106-1.107   53rd/N,T
472 Methyl 3-methylthiopropionate Methyl 3-(methylthio)propionate Methyl beta-(methylmercapto)propionate; Methyl beta-methiopropionate 2720 428 13532-18-8 134.19 C5 H10 O2 S colourless to pale yellow liquid with onion-like odour very slightly soluble in water, soluble in alcohol - 74-75 (13 mm Hg) IR 97 1.0 1.462-1.468 1.069-1.078   53rd/N
473 Methylthiomethyl butyrate Methylthiomethyl butyrate   3879   74758-93-3 148.22 C6 H12 O2 S colourless to pale yellow liquid with metallic fruity odour very slightly soluble in water; soluble in alcohols and oils - - - 97   1.454-1.464 0.943-0.948   53rd/N,T
474 Methyl 4-(methylthio)butyrate Methyl 4-(methylthio)butyrate Methyl 4-(methylmercapto)butyrate 3412 11526 53053-51-3 148.22 C6 H12 O2 S colourless liquid with sweet, cheesy odour in dilute solution insoluble in water; soluble in alcohol - 52 (3 mm Hg); 110 (20 mm Hg) IR, NMR 98   1.467-1.477 0.953-0.957   53rd/N
475 Ethyl 2-(methylthio)acetate Ethyl (methylthio)acetate Ethyl beta-(methylthio)propionate 3835   4455-13-4 134.21 C5 H10 O2 S colourless liquid with a fruity odour very slightly soluble in water; soluble in alcohols and oils - 70-72 (25 mm Hg) IR 98   - 1.038-1.043   53rd/N,T
476 Ethyl 3-methylthiopropionate Ethyl 3-(methylthio)propionate Ethyl beta-(methylthio)propinate 3343 11476 13327-56-5 148.23 C6 H12 O2 S colourless to pale yellow liquid with onion-like, fruity, sweet odour - 1 ml in 1 ml 95% alcohol 196 IR 98   1.455-1.465 1.026-1.038   53rd/N
477 Ethyl 4-(methylthio)butyrate Ethyl 4-(methylthio)butyrate   3681   22014-48-8 162.25 C7 H14 O2 S colourless liquid with pungent sulfury odour soluble in water; miscible in fats - 95 (15 mm Hg) IR 97   1.459 (23) 0.995-1.046 (d20/4)   53rd/N
478 3-(Methylthio)propyl acetate 3-(Methylthio)propyl acetate 3-Acetoxypropyl methyl sulfide; Methionyl acetate 3883   16630-55-0 148.22 C6 H12 O2 S colourless liquid with fatty, estery odour very slightly soluble in water; soluble in alcohol and oils - 201-202 - 97 1.0 1.461-1.467 0.930-1.044   53rd/N,T
479 Methylthiomethyl hexanoate Methylthiomethyl hexanoate   3880   74758-91-1 176.27 C8 H16 O2 S colourless to pale yellow liquid very slightly soluble in water; soluble in alcohols and oils - - - 97   - 0.890-0.895   53rd/N,T
480 Ethyl 3-(methylthio)butyrate Ethyl 3-(methylthio)butyrate   3836     162.24 C7 H14 O2 S colourless to pale yellow liquid with sulfury odour very slightly soluble in water; soluble in alcohols and oils - - - 97   - 0.880-0.887   53rd/N,T
481 3-(Methylthio)hexyl acetate 3-(Methylthio)hexyl acetate   3789   51755-85-2 190.31 C9 H18 O2 S colourless liquid soluble in water and fat - 75 (5 mm Hg) - 99 1.0 1.461-1.469 0.982-0.990   53rd/N,T
482 S-Methyl thioacetate S-Methyl acetothioate Methanethiol acetate; S-Methyl ethanethioate 3876   1534-08-3 90.14 C3 H6 OS colourless to pale yellow liquid soluble in oil and alcohol - - MS, NMR 98   - 0.817-0.825   53rd/N,T
483 Ethyl thioacetate S-Ethyl acetothioate   3282 11665 625-60-5 104.17 C4 H8 OS clear liquid insoluble in water; soluble in alcohol; miscible in diethyl ether - 117 NMR 99   1.458-1.468 0.979 (20)   53rd/N
484 Methyl thiobutyrate S-Methyl butanethioate Methylthiol n-butyrate 3310 2328 2432-51-1 118.19 C5 H10 OS colourless to pale yellow liquid with putrid, rancid, sour, pungent cabbage odour (powerful sweet cheesy odour in dilute solution) insoluble in water; miscible in diethyl ether - 140-143; 38-40 (12 mm Hg) - 98 1.0 1.457-1.469 0.960-0.975   53rd/N,T
485 Propyl thioacetate S-Propyl thioacetate Propanethiol acetate 3385 11576 2307-10-0 118.19 C5 H10 OS colourless to pale yellow liquid - 1 ml in 1 ml 95% alcohol 137-100 NMR 99   1.457-1.463 0.953-0.959   53rd/N
486 S-Methyl 2-methylbutanethioate S-Methyl 2-methylbutanethioate Methylthiol 2-methylbutyrate 3708   42075-45-6 132.22 C6 H12 OS colourless liquid insoluble in water; soluble in fats and alcohols - 153 - 99   - -   53rd/N,T
487 S-Methyl 3-methylbutanethioate S-Methyl 3-methylbutanethioate Methylthiol isovalerate 3864   23747-45-7 132.22 C6 H12 OS colourless liquid insoluble in water; soluble in peanut oil and ethanol - 157 IR, MS, NMR, UV 95   - 0.935-0.940   53rd/N,T
488 S-Methyl 4-methylpentanethioate S-Methyl 4-methylpentanethioate   3867   61122-71-2 146.25 C7 H14 OS colourless to pale yellow liquid soluble in oil and alcohol - - MS 95   - 0.832-0.837   53rd/N,T
489 S-Methyl hexanethioate S-Methyl hexanethioate Methylthiol hexanoate 3862   20756-86-9 162.24 C7 H14 O2 S colourless to pale yellow liquid soluble in oil and alcohol - - - 95   - 0.829-0.834   53rd/N,T
490 Allyl thiopropionate Allyl thiopropionate Propionic acid, thioallyl ester 3329 11436 41820-22-8 130.21 C6 H10 OS - - - - - 83% +15% diallyl sulfide   - -   53rd/N,T
491 Prenyl thioacetate S-(3-Methyl-2-butenyl) acetothioate S-3-Methyl-2-butenyl ethanethioate 3895   33049-93-3 144.24 C7 H12 OS clear colourless liquid insoluble in water; soluble in ethanol, triacetin and heptane - 67-68 IR, MS, NMR 99   1.492-1.497 0.964-0.969   53rd/N
492 Methylthio 2-(acetyloxy)propionate S-Methyl 2-(acetyloxy)propanethioate Acetyllactic acid thiomethyl ester 3788   74586-09-7 162.20 C6 H10 O3 S colourless to pale pink liquid slightly soluble in water; soluble in fats - 73 (8.5mm Hg) IR, NMR 99   1.465-1.475 1.130 (d20/4)   53rd/N
493 Methylthio 2-(propionyloxy) propionate S-Methyl 2-(propionyloxy)propanethioate Propionyllactic acid thiomethyl ester 3790     176.23 C7 H12 O3 S colourless to pale pink liquid slightly soluble in water; soluble in fats - 76 (4.5 mm Hg) IR, MS, NMR 99   1.464-1.474 1.098 (d20/4)   53rd/N
494 3-(Acetylmercapto)hexyl acetate 3-(Acetylmercapto)hexyl acetate 3-Acetylthiohexyl acetate; 3- Acetylthiohexyl ethanoate 3816   136954-25-1 218.32 C10 H18 O3 S clear liquid insoluble in water; soluble in ethanol and heptane - 212 IR, MS, NMR 98   1.468-1.475 1.035-1.040   53rd/N
495 1-Methylthio-2-propanone 1-Methylthio-2-propanone (Methylthio)acetone, alpha-(Methylthio)acetone; alpha-(Methylthio)propanone; 2-Thia-4-pentanone 3882   14109-72-9 104.17 C4 H8 OS colourless to pale yellow liquid with odour of melon very slightly soluble in water; soluble in alcohols and oils - - - 97   1.395-1.405 -   53rd/N,T
496 1-(Methylthio)-2-butanone 1-(Methylthio)-2-butanone 2-Thia-4-hexanone 3207 11543 13678-58-5 118.19 C5 H10 OS colourless liquid; odour remniscient of mushroom with a characterisitic garlic undertone - - 52-53 (8 mm Hg) IR, NMR 99   1.470-1.485 0.997 (22)   53rd/N
497 4-(Methylthio)-2-butanone 4-(Methylthio)-2-butanone   3375 11688 34047-39-7 118.19 C5 H10 OS sweet, sulfurous, fruity flavor like arrowhead insoluble in water - 106 (55 mm Hg); 77-78 (20 mm Hg) - 97   1.470-1.481 1.000-1.007   53rd/N,T
498 4,5-Dihydro-3(2H)-thiophenone 4,5-Dihydro-3(2H)-thiophenone Tetrahydrothiophene-3-one; 3-Thiophane 3266 2337 1003-04-9 102.15 C4 H6 OS colourless to yellow liquid with garlic, meaty, green vegetable, buttery odour - - 174-175; 73 (15 mm Hg) ; 86-87 (25 mm Hg) - 97   1.527-1.531 1.194-1.199 (20)   53rd/N,T
499 2-Methyltetrahydrothiophen-3-one 4,5-Dihydro-2-methyl-3(2H)-thiophenone 2-Methyl-4,5-dihydro-3(2H)thio-phenone 3512 11601 13679-85-1 116.18 C5 H8 OS - insoluble in water; soluble in alcohol, fats - 64-65 (11 mm Hg) - 99   1.510-1.520 0.958-0.970   53rd/N,T
500 4-(Methylthio)-4-methyl-2-pentanone 4-Methyl-4-(methylthio)-2-pentanone   3376 11551 23550-40-5 146.25 C7 H14 OS - - - 84 (12 mm Hg); 78 (15 mm Hg) - 99   1.475-1.485 0.964   53rd/N,T
501 Sodium 4-(methylthio)-2-oxobutanoate Sodium 4-(methylthio)-2-oxobutanoate   3881   51828-97-8 170.16 C5 H7 O3 SNa white, free-flowing powder soluble in water and white petrolatum - 483 NMR 99.5   n/a n/a   53rd/N
502 Di(butan-3-one-1-yl) sulfide Di-(3-oxobutyl) sulfide   3335 11441 40790-04-3 174.26 C8 H14 O2 S - - - 95 (0.01 mm Hg) - 99   - - 53rd/N,T
503 o-(Methylthio)phenol 2-(Methylthio)phenol 1-Hydroxy-2-methylmercapto-benzene; Methyl (2-hydroxyphenyl) sulfide; 2-Methylmercaptophenol; Thioguaiacol 3210 11553 1073-29-6 140.20 C7 H8 OS liquid - - 218-219; 105 (22 mm Hg) - 98   - 1.168-1.173   53rd/N,T
504 S-Methyl benzothioate S-Methyl benzothioate Methanethiol, benzoate 3857   5925-68-8 152.21 C8 H8 OS colourless to pale yellow liquid soluble in oil and alcohol - - - 95   - 0.817-0.847   53rd/N,T
505 2-(Methylthiomethyl)-3-phenylpropenal 2-(Methylthiomethyl)-3-phenylpropenal alpha-Benzylidene methional 3717   65887-08-3 192.28 C11 H12 OS viscous yellow liquid insoluble in water; miscible in fats - 151 (3.8 mm Hg) IR, MS, NMR 98 (mixture of 87% trans and 13% cis)   1.622-1.632 1.080-1.085   53rd/N
506 Menthone-8-thioacetate Menthone 8-thioacetate (S)-Menthon-8-yl thioacetate; Menthone thioacetate; 8-Acetylthio-p-menthan-3-one; 3809     228.34 C12 H20 O2 S pale yellow liquid slightly soluble in water; soluble in n-hexane - 87 IR, MS, NMR 96   1.503-1.513 1.050-1.055 Pulegone: max. 0.5% 53rd/N
507 Methylsulfinylmethane Methylsulfinylmethane Methyl sulfoxide; Dimethyl sulfoxide (DMSO) 3875   67-68-5 78.13 C2 H6 OS colourless liquid with mild cabbage or garlic odour soluble in oil and alcohol; miscible with water - 189 IR, MS 99   - 1.087-1.092   53rd/N,T
508 Methyl mercaptan Methanethiol Methanethiol ; Mercaptomethane; Methyl sulfhydrate; Thiomethyl alcohol 2716 475 74-93-1 48.10 C H4 S clear liquid (at <6C) or colourless gas with odour of rotten cabbage or garlic 2.4 g/100 ml water; soluble in alcohol, ether, organic solvents - 5.9-6.0 IR - 1.0 1.430-1.436 (gas); 0.894 (liquid) 0.862-0.894 (gas); 1.032-1.040 (liquid)   53rd/N,T
509 Propanethiol 1-Propanethiol 1-Mercaptopropane; n-Propyl mercaptan 3521 11816 107-03-9 76.16 C3 H8 S colourless to pale yellow liquid with cabbage-like, sulfuraceous odour soluble in water, alcohol, propylene glycol and oils - 67-68 - -   1.438 0.842-0.847   53rd/N,T
510 2-Propanethiol 2-Propanethiol Isopropyl mercaptan 3897   75-33-2 76.16 C3 H8 S colourless liquid with onion odour soluble in oil and alcohol - 57-60 IR, MS, NMR 98   - 0.814-0.819   53rd/N,T
511 1-Butanethiol 1-Butanethiol Butyl mercaptan 3478 526 109-79-5 90.19 C4 H10 S colourless to pale yellow liquid with garlic or skunk-like odour 0.6 g in 100 ml water; slightly soluble in oils 1 ml in 1 ml 95% alcohol 97-98.4 IR 98   1.444-1.452 0.842-0.847   53rd/N
512 2-Methyl-1-propanethiol 2-Methyl-1-propanethiol Isobutyl mercaptan 3874   513-44-0 90.19 C4 H10 S colourless liquid with cooked vegetable, mustard-like odour soluble in oil and alcohol - 87-89 IR 92   - 0.829-0.836   53rd/N,T
513 3-Methylbutanethiol 3-Methyl-1-butanethiol Isoamyl mercaptan 3858   541-31-1 104.22 C5 H12 S colourless liquid with odour of onion or glue soluble in oil and alcohol - 118-129.5 IR, MS 97   - 0.831- 0.838   53rd/N,T
514 2-Pentanethiol 2-Pentanethiol 2-Pentyl mercaptan 3792   2084-19-7 104.22 C5 H12 S colourless liquid slightly soluble in water; soluble in alcohol - 113 - 97; +2.4% 3-pentanethiol   1.442-1.452 0.832 (d20/4)   53rd/N,T
515 2-Methyl-1-butanethiol 2-Methyl-1-butanethiol   3303 11509 1878-18-8 104.22 C5 H12 S colourless liquid with disagreeable odour - - 116-118 IR, NMR 99   1.439-1.449 0.842-0.847   53rd/N
516 Cyclopentanethiol Cyclopentanethiol Cyclopentyl mercaptan 3262 2321 1679-07-8 102.20 C5 H10 S colourless liquid slightly soluble in water; soluble in alcohol and oils - 131 - 98   1.488 0.920-0.925   53rd/N,T
517 3-Methyl-2-butanethiol 3-Methyl-2-butanethiol   3304 11510 2084-18-6 104.22 C5 H12 S colourless liquid with repulsive, mercaptan-like odour insoluble in water, miscible with alcohol and ether - 117-118 IR, NMR 99   1.442-1.452 0.835-0.841   53rd/N
518 1-Hexanethiol 1-Hexanethiol Hexyl mercaptan 3842   111-31-9 118.24 C6 H14 S colourless liquid with earthy odour soluble in oil and alcohol - 150-154 IR, MS, NMR 95   - 0.824-0.835   53rd/N,T
519 2-Ethylhexanethiol 2-Ethylhexane-1-thiol 2-Ethylhexyl mercaptan 3833   7341-17-5 146.29 C8 H18 S colourless to pale yellow liquid soluble in oil and alcohol - - IR, MS, NMR 95   - 0.817-0.827   53rd/N,T
520 2, 3, and 10-Mercaptopinane Mixture of 2,6,6 Trimethyl-bicyclo[3.1.1]heptane-(2, 3 and 10)-thiols Pinanethiol; Pinanyl mercaptan 3503 2332   170.31 C10 H18 S sulfurous, tropical fruit, mercaptan odour insoluble in water; soluble in alcohol and oils - 258-259 - 95   1.511-1.517 0.980-0.988 Contains approx. 54% 10-isomer, 31% 2-isomer, 10% 3-isomer 53rd/N,T
521 Allyl mercaptan Allylthiol Allyl sulfhydrate 2035 476 870-23-5 74.14 C3 H6 S colourless to pale yellow mobile liquid with onion-like, sweet, not pungent odour slightly soluble in water; miscible in alcohol, oil, and ethyl ether 1 ml in 1 ml 95% alcohol 66-68 - 70   1.470-1.491 0.888-0.930   53rd/N,T
522 Prenylthiol 3-Methyl-2-butene-1-thiol Prenyl mercaptan; 3-Methyl-2-butenyl mercaptan; 3-Methyl-2-butenthiol-1 3896   5287-45-6 102.20 C5 H10 S Clear colourless liquid insoluble in water; soluble in ethanol, triacetin and heptane - 128-135 IR, MS, NMR 98   1.483-1.493 0.884-0.885   53rd/N
523 1-p-Menthene-8-thiol 1-p-Menthene-8-thiol alpha, alpha ,4-Trimethyl-3-cyclohexene-1-methanethiol 3700   71159-90-5 170.31 C10 H18 S Colourless liquid with aroma and taste of grapefruit in dilute solution slightly soluble in water, soluble in fat - 37 (0.1 mm Hg); 58 (0.33 mm Hg) - 98   1.504 0.948 (20)   53rd/N,T
524 Thiogeraniol 3,7-Dimethyl-2(trans),6-octadiene-1-thiol 3,7-Dimethyl-2,6-octadien-1-thiol; 3,7-Dimethyl-2,6-octadien-1-yl mercaptan 3472 11583 39067-80-6 170.31 C10 H18 S yellow to orange liquid - - 58 (0.35 mm Hg) IR, MS, NMR 95% (+ 5% terpineol)   1.503-1.513 - trans:cis isomer ratio = 6:1 53rd/N,T
525 Benzenethiol Benzenethiol Thiophenol; Phenyl mercaptan 3616 11585 108-98-5 110.17 C6 H6 S colourless to water white or pale yellow mobile liquid with repulsive, penetrating, garlic-like odour insoluble in water; slightly soluble in alcohol and ether; soluble in oils - 169; 46.4 (10mm Hg) IR, NMR 97   1.589-1.593 1.073-1.080   53rd/N
526 Benzyl mercaptan Phenylmethanethiol Benzenemethanethiol; Benzylthiol; alpha-Mercaptoluene; Thiobenzyl alcohol 2147 477 100-53-8 124.20 C7 H8 S colourless or pale-straw-colored mobile liquid with repulsive garlic-like odour insoluble in water; soluble in oils 1 ml in 1 ml 95% alcohol 194-195 IR 98   1.573-1.578 1.050-1.058   53rd/N
527 Phenethyl mercaptan 2-Phenylethanethiol 2-Phenethylthiol 3894   4410-99-5 138.23 C8 H10 S clear, colourless liquid insoluble in water, soluble in ethanol, triacetin and heptane - 62 IR, MS, NMR 99   1.560-1.615 1.027-1.037   53rd/N
528 o-Toluenethiol 2-Methylbenzenethiol 2-Methyl(thiophenol); o-Tolyl mercaptan 3240 2272 137-06-4 124.20 C7 H8 S colourless to pale yellow liquid with disagreeable odour - - 194-195 - 95   1.575 1.054-1.059   53rd/N,T
529 2-Ethyl(thiophenol) 2-Ethylbenzenethiol 2-Ethylphenyl mercaptan 3345 11666 4500-58-7 138.23 C8 H10 S colourless liquid with disagreeable odour - - 203-205 - 98( +1-2% 2-ethylphenol)   - 1.040-1.045   53rd/N,T
530 2,6-Dimethyl(thiophenol) 2,6-Dimethylbenzenthiol 2,5-Xylenethiol 3666   118-72-9 138.23 C8 H10 S colourless to yellow liquid with strong odour slightly soluble in water; soluble in fat - 87 IR, NMR 97   1.527-1.531 1.044 (d20/4)   53rd/N
531 2-Naphthalenethiol 2-Naphthalenethiol 2-Mercaptonaphthalene; 2-Naphthyl mercaptan; 2-Thionapthol 3314 2330 91-60-1 160.23 C10 H8 S crystals with disagreeable mercaptan-like odour

slightly soluble in water; soluble in alcohol and ether

-

210.5 (100mm Hg)

-

98

  -

1.160 (d20/4)

Melting Pt. 81; Decomposes at 285

53rd/N,T
532 1,2-Ethanedithiol 1,2-Ethanedithiol 1,2-Dimercaptoethane; Dithioglycol; Ethylenedimercaptan; Ethylene dithioglycol; Ethylene mercaptan 3484 11467 540-63-6 94.19 C2 H6 S2 clear to light green liquid with pungent, nauseating mercaptan odour insoluble in water; miscible in fat - 146; 46-47 (6 mm Hg) IR, NMR 99   1.558-1.559 1.123-1.124 (d20/4)   53rd/N
533 bis(Methylthio)methane Bis(methylthio)methane 2,4-Dithiapentane; Bis(methyl mercapto) methane; Formaldehyde dimethyl dithioacetal; Formaldehyde dimethyl mercaptal; Methylene bis(methyl sulfide); Thioformaldehyde dimethyl acetal 3878   1618-26-4 108.22 C3 H8 S2 pale yellow, oily liquid with an odour of fresh mustard very slightly soluble in water; soluble in alcohols and oils - 193 IR 99   - 0.959-1.059   53rd/N,T
534 2-Methyl-1,3-dithiolane 2-Methyl-1,3-dithiolane   3705   5616-51-3 120.23 C4 H8 S2 liquid with a burnt alliaceous odour insoluble in water; slightly soluble in fat - 65 (10 mm Hg) IR, NMR 99   1.564-1.574 1.153 (d20/4)   53rd/N
535 1,3-Propanedithiol 1,3-Propanedithiol 1,3-Dimercaptopropane; Trimethylene dimercaptan 3588 11929 109-80-8 108.22 C3 H8 S2 liquid with odour of sulfur or meat insoluble in water; miscible in fat - 169-173; 105 (100 mm Hg); 63 (15 mm Hg) IR, NMR 98   1.537-1.539 1.077-1.078 (d20/4)   53rd/N
536 1,2-Propanedithiol 1,2-Propanedithiol 1,2-Dimercaptopropane 3520 11564 814-67-5 108.22 C3 H8 S2 clear blue liquid insoluble in water; miscible in oil - 152 IR, NMR 96   1.531-1.541 - Chlorinated monothiol: max. 1.1% 53rd/N,T
537 1,2-Butanedithiol 1,2-Butanedithiol 1,2-Dimercaptobutane 3528 11909 16128-68-0 122.24 C4 H10 S2 liquid with sulfury, roasted meat odour insoluble in water; miscible in fat - 77 (28 mm Hg) IR, NMR 98   1.521-1.531 1.039 (d20/4)   53rd/N
538 1,3-Butanedithiol 1,3-Butanedithiol 1,3-Dimercaptobutane 3529 11910 24330-52-7 122.24 C4 H10 S2 liquid with meaty odour insoluble in water; miscible in fat - 91-93 IR, NMR 99   1.526-1.536 1.052 (d20/4)   53rd/N
539 2,3-Butanedithiol 2,3-Butanedithiol 2,3-Dimercaptobutane 3477 725 4532-64-3 122.24 C4 H10 S2 - insoluble in water; miscble in fat - 69-70 (28 mm Hg) IR 99   1.517-1.527 0.997 (20)   53rd/N
540 1,6-Hexanedithiol 1,6-Hexanedithiol 1,6-Dimercaptohexane; Hexamethlyene dimercaptan 3495 11486 1191-43-1 150.30 C6 H14 S2 - insoluble in water; miscible in fat - 242-243; 118-119 (15 mm Hg) IR, NMR 97% +2% 1,2-dithiacyclo-octane as equilibrium mixture   1.511-1.514 0.983-0.995   53rd/N
541 1,8-Octanedithiol 1,8-Octanedithiol 1,8-Dimercaptooctane; Octamethylene dimercaptan 3514 2331 1191-62-4 178.35 C8 H18 S2 - insoluble in water; miscible in oil - 269-270; 193 (100 mm Hg) IR 99 (+1% 1,2-dithiacyclodecane as equilibrium mixture)   1.503-1.504 0.962 (d20/4)   53rd/N
542 1,9-Nonanedithiol 1,9-Nonanedithiol 1,9-Dimercaptononane; Nonamethylene dimercaptan 3513 11558 3489-28-9 192.38 C9 H20 S2 - insoluble in water; miscible in oils - 284 IR, NMR 97% +2.1% 1,2-dithiacycloundecane (equil. mix)   1.500-1.510 0.952-0.957   53rd/N
543 Trithioacetone 2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane   3475 2334 828-26-2 222.42 C9 H18 S3 pale yellow liquid or solid insoluble in water; miscible in oils - 78.5 (0.5 mm Hg) IR, NMR 97   1.537-1.545 -   53rd/N,T
544 3-Mercapto-3-methyl-1-butanol 3-Mercapto-3-methyl-1-butanol   3854   34300-94-2 120.20 C5 H12 OS - soluble in water at 10 g/l at 20C, white petrolatum at <100 g/kg at 20C, acetone and 95% ethanol at 20C - 186 (730 mm Hg) IR, MS, NMR -   1.480-1.490 0.989 (20)   53rd/N,T
545 3-Mercaptohexanol 3-Mercapto-1-hexanol 3-Thiohexan-1-ol 3850   51755-83-0 134.24 C6 H14 OS clear liquid insoluble in water; soluble in and ethanol and heptane - 198 IR, MS, NMR 99   1.479-1.489 0.975-0.980   53rd/N
546 2-Mercapto-3-butanol 3-Mercapto-2-butanol 2-Hydroxy-3-butanethiol; 3-Hydroxy-2-butanethiol 3502 760 37887-04-0 106.18 C4 H10 OS - insoluble in water; miscible in alcohol and fat - 58-60 (10 mm Hg) IR, NMR 99   - -   53rd/N,T
547 alpha-Methyl-beta-hydroxypropyl alpha-methyl-beta-mercaptopropyl sulfide 3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol   3509 2353 54957-02-7 194.35 C8 H18 OS2 - insoluble in water; soluble in alcohol; slightly soluble in fat - 85-88 (0.4 mm Hg) IR, NMR 99   1.516-1.526 1.040 (d20/4)   53rd/N
548 4-Methoxy-2-methyl-2-butanethiol 4-Methoxy-2-methyl-2-butanethiol   3785   94087-83-9 134.24 C6 H14 OS colourless liquid insoluble in water; soluble in ethanol - 59 IR, MS, NMR 98   - -   53rd/N,T
549 3-Mercapto-3-methylbutyl formate 3-Mercapto-3-methylbutyl formate   3855   50746-10-6 148.22 C6 H12 O2 S colourless liquid soluble in water at 1000 mg/L, white petrolatum 250 g/kg at 20oC, acetone and 95% ethanol at 20oC - 181 IR, MS, NMR 95   1.462-1.472 1.03   53rd/N
550 2,5-Dihydroxy-1,4-dithiane 2,5-Dihydroxy-1,4-dithiane Mercaptoacetaldehyde dimer; p-Diathane-2,5-diol 3826   40018-26-6 152.23 C4 H8 O2 S2 white to off-white powder slightly soluble in water; soluble in alcohol - n/a IR 97   n/a n/a Melting Pt.: 130 53rd/N
551 2-Mercaptopropionic acid 2-Mercaptopropionic acid alpha-Mercaptopropanoic acid; Thiolactic acid; 2-Thiolpropionic acid 3180 11790 79-42-5 106.16 C3 H6 O2 S colourless to pale yellow liquid with roasted, meaty odour miscible in water, alcohol, ether and acetone 1 ml in 1 ml 95% alcohol 117 (16 mm Hg) IR 98   1.479-1.484 1.192-1.200 Melting Pt.: 10 53rd/N
552 Ethyl 2-mercaptopropionate Ethyl 2-mercaptopropionate Ethyl thiolactate 3279 11469 19788-49-9 134.19 C5 H10 O2 S - - - - IR 99   - -   53rd/N,T
553 Ethyl 3-mercaptopropionate Ethyl 3-mercaptopropionate Ethyl 3-thiopropionate 3677   5466-06-8 134.19 C5 H10 O2 S clear liquid - - 162 IR, MS, NMR 99   1.456-1.460 1.054 (d20/4)   53rd/N
554 3-Mercaptohexyl acetate 3-Mercaptohexyl acetate 3-Thiohexyl acetate, 3-Thiohexyl ethanoate 3851   136954-20-6 176.28 C8 H16 O2 S clear liquid insoluble in water; soluble in ethanol and heptane - 186 IR, MS, NMR 81.7   1.462-1.472 0.991-0.996 Also contains min. 8.2% 3-Mercaptohexanol and 9.7% 3-Acetylmercaptohexyl acetate 53rd/N
555 3-Mercaptohexyl butyrate 3-Mercaptohexyl butyrate 3-Thiohexyl butyrate, 3-Thiohexyl butanoate 3852   136954-21-7 204.33 C10 H20 O2 S clear liquid insoluble in water; soluble in ethanol and heptane - 196 IR, MS, NMR 90   1.459-1.469 0.960-0.965   53rd/N
556 3-Mercaptohexyl hexanoate 3-Mercaptohexyl hexanoate 3-Mercaptohexyl caproate; 3-Thiohexyl caproate 3853   136954-22-8 232.39 C12 H24 O2 S clear liquid insoluble in water; soluble in ethanol, triacetin and heptane - 280 IR, MS, NMR -   1.460-1.470 0.943-0.948   53rd/N,T
557 1-Mercapto-2-propanone 1-Mercapto-2-propanone Mercaptoacetone 3856   24653-75-6 90.14 C3 H6 OS colourless to pale yellow liquid soluble in oil and alcohol - - NMR -   1.400-1.520 0.817-0.847   53rd/N,T
558 3-Mercapto-2-butanone 3-Mercapto-2-butanone   3298 11497 40789-98-8 104.17 C4 H8 OS colourless or pale yellow liquid, becomes cloudy after short storage slightly soluble in water; soluble in alcohol, ether, pyridine and aqueous alkalis - 50 (18 mm Hg) - 99   1.469-1.479 1.016 (20)   53rd/N,T
559 2-Keto-4-butanethiol 4-Mercapto-2-butanone   3357 11498 34619-12-0 104.17 C4 H8 OS - - - 59-60 (15 mm Hg) - 99   - -   53rd/N,T
560 3-Mercapto-2-pentanone 3-Mercapto-2-pentanone   3300 2327 67633-97-0 118.19 C5 H10 OS colourless liquid insoluble in water; miscible in alcohol - 183; 57 (15 mm Hg) - 98   1.414-1.424 0.988-0.998   53rd/N,T
561 p-Mentha-8-thiol-3-one 8-Mercapto-3-p-menthanone 8-Mercapato-p-menthane-3-one; Thiomenthone 3177 11789 38462-22-5 186.31 C10 H18 OS colourless to yellow brown liquid insoluble in water soluble in alcohol - 120 (10 mm Hg) - 97   1.492-1.509 0.995-1.010   53rd/N,T
562 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane 2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane 2,5-Dimethyl-2,5-dihdroxy-p-dithiane 3450 2322 55704-78-4 180.28 C6 H12 O2 S2 white crystalline solid slightly soluble in water; soluble in alcohol - n/a - 95   n/a n/a Melting Pt.: 80-138 53rd/N,T
563 Sodium 3-mercapto-oxopropionate Sodium 3-mercapto-2-oxopropionate Sodium mercaptopyruvate; Pyruvic acid, 3-mercapto-, sodium salt 3901   10255-67-1 142.10 C3 H3 O3 SNa white, free-flowing powder soluble in water at 200 g/l at 20oC, white petrolatum at <100 g/kg at 20oC - 467 IR, NMR 97.6   n/a n/a Melting Pt.: 183 53rd/N
564 Dimethyl disulfide Dimethyl disulfide Methyl disulfide 3536 2175 624-92-0 94.19 C2 H6 S2 colourless to pale yellow liquid with onion-like odour very slightly soluble in water; soluble in alcohol and oils - 109-110; 23 (30 mm Hg); 32 (55 mm Hg) IR 97   1.522-1.527 1.065 (20)   53rd/N
565 Methyl propyl disulfide Methyl propyl disulfide Methyl n-propyl disulfide 3201 585 2179-60-4 122.24 C4 H10 S2 pale yellowish mobile liquid with powerful, penetratating, sulfuraceous-herbaceous, oniony odour slightly soluble in water; soluble in ethyl alcohol and oil - 69-71 (43 mm Hg); 40-41 (9 mm Hg) - 95   1.508-1.518 0.990-0.999   53rd/N,T
566 Propyl disulfide Dipropyl disulfide Di-n-propyl disulfide; 1-Propyl disulfide 3228 540 629-19-6 150.30 C6 H14 S2 colourless to pale yellowish liquid with poor tenacity; pungent sulfur-like odour of onion or garlic insoluble in water; soluble in ethyl alcohol and oil - 194-195; 99 (40 mm Hg) IR 99   1.497-1.498 0.950-0.960   53rd/N
567 Diisopropyl disulfide Di-isopropyl disulfide Isopropyl disulfide; 2,5-Dimethyl-3,4- dithiahexane; Bis(1-methylethyl)disulfide 3827 1145 4253-89-8 150.30 C6 H14 S2 colourless liquid with a sulfurous, oniony odour very slightly soluble in water; soluble in alcohols and oils - 177.2 IR 96   1.441-1.451 0.843-0.847   53rd/N
568 Allyl methyl disulfide Allyl methyl disulfide Methyl allyl disulfide 3127 11866 2179-58-0 120.23 C4 H8 S2 colourless liquid - - 83-84 (170 mm Hg); 30-33 (20 mm Hg) - 90 (+10% dimethyl disulfide and diallyl disulfide)   1.533- 1.535 -   53rd/N,T
569 Methyl 1-propenyl disulfide Methyl 1-propenyl disulfide Methyl propenyl disulfide 3576 11712 5905-47-5 120.23 C4 H8 S2 colourless liquid - - 53-98 (14 mm Hg) - -   1.542-1.552 -   53rd/N,T
570 Propenyl propyl disulfide 1-Propenyl propyl disulfide Propyl propenyl disulfide 3227 11699 5905-46-4 148.28 C6 H12 S2 colourless liquid with odour of cooked onions - - 78-80 (13 mm Hg) - 92 (+8% dipropyl disulfide)   1.522-1.532 -   53rd/N,T
571 Methyl 3-methyl-1-butenyl disulfide Methyl 3-methyl-1-butenyl disulfide   3865     148.28 C6 H12 S2 pale yellow liquid with powerful odour very slightly soluble in water; soluble in alcohols and oils - - - 97   1.380-1.390 0.830-0.835   53rd/N,T
572 Allyl disulfide Diallyl disulfide   2028 485 2179-57-9 146.27 C6 H10 S2 pale yellow liquid with odour of garlic; lacrymator insoluble in water; soluble in common organic solvents - 79 (16 mm Hg) - 80   1.537-1.551 0.998-1.015   53rd/N,T
573 3,5-Dimethyl-1,2,4-trithiolane 3,5-Dimethyl-1,2,4-trithiolane 2,5-Dimethyl-1,3,4-trithiolane; 3,5-Dimethyl-1,2,4-trithiacyclopentane 3541 11883 23654-92-4 152.29 C4 H8 S3 - insoluble in water; soluble in fat - 43-45 (0.7 mm Hg) - 98   1.593-1.603 -   53rd/N,T
574 3-Methyl-1,2,4-trithiane 3-Methyl-1,2,4-trithiane 3-Methyl-1,2,4-trithiacyclohexane 3718   43040-01-3 152.29 C4 H8 S3 colourless liquid with strong odour insoluble in water; soluble in fat - - MS 98   1.617-1.627 1.276 (d20/4)   53rd/N,T
575 Dicyclohexyl disulfide Dicyclohexyl disulfide   3448 2320 2550-40-5 230.43 C12 H22 S2 - insoluble in water; slightly soluble in alcohol; soluble in fat - - NMR -   1.543-1.553 -   53rd/N,T
576 Methyl phenyl disulfide Methyl phenyl disulfide Phenyl methyl disulfide 3872   14173-25-2 156.27 C7 H8 S2 pale yellow liquid with powerful odour insoluble in water; soluble in alcohol - 62-65 (2 mm Hg) IR 97   1.610-1.619 1.145-1.150   53rd/N
577 Methyl benzyl disulfide Benzyl methyl disulfide Benzyldithiomethane; Methyl benzyl disulfide; Methyl phenylmethyl disulfide 3504 11508 699-10-5 170.29 C8 H10 S2 - insoluble in water - 82-86 (0.8 mm Hg) IR, NMR 99   n/a 0.840 (d20/4) Melting Pt.: 61-62 53rd/N
578 Phenyl disulfide Diphenyl disulfide Phenyldithiobenzene 3225 11757 882-33-7 218.33 C12 H10 S2 orthorhombic needles insoluble in water; soluble in alcohol, ether, carbon disulfide - 310; 192 (15 mm Hg) IR 98   n/a 1.353 (20) Melting Pt.: 61-62 53rd/N
579 Benzyl disulfide Dibenzyl disulfide BDS; alpha-(Benzyldithio))toluene; 1,4-Diphenyl-1,2,3-dithiobutane; Di(phenylmethyl)disulfide 3617   150-60-7 246.39 C14 H14 S2 pale yellowish leafy crystals or leaflets with "burnt caramellic" odour insoluble or slightly soluble in water; soluble in hot alcohol, ether - >270 (with decomposition) IR -   n/a n/a Melting Pt.: 71-74 53rd/N,T
580 2-Methyl-2-(methyldithio)propanal 2-Methyl-2-(methyldithio)propanal 2-(Methydithio)isobutyraldehyde 3866   67952-60-7 150.27 C5 H10 OS2 colourless to pale yellow liquid very slightly soluble in water;soluble in alcohol and oils - 46 (1 mm Hg) - 95   1.512-1.522 1.095-1.100   53rd/N,T
581 Ethyl 2-(methyldithio)propionate Ethyl 2-(methyldithio)propionate   3834   23747-43-5 180.28 C6 H12 O2 S2 colourless to pale yellow liquid very slightly soluble in water; soluble in alcohols and oils - 105 (12 mm Hg) - 98   1.490-1.500 1.090-1.120   53rd/N,T
582 Dimethyl trisulfide Dimethyl trisulfide   3275 539 3658-80-8 126.26 C2 H6 S3 pale yellow liquid with powerful odour very slightly soluble in water; soluble in alcohols, propylene glycol and oils - 165-170; 41 (6 mm Hg) - 97   1.595-1.605 1.195-1.210   53rd/N,T
583 Methyl ethyl trisulfide Ethyl methyl trisulfide 2,3,4-Trithiahexane; Ethyl methyl trisulfide 3861   31499-71-5 140.28 C3 H8 S3 pale yellow liquid with powerful odour very slightly soluble in water; soluble in alcohol and oils - - - 97   1.510-1.520 -   53rd/N,T
584 Methyl propyl trisulfide Methyl propyl trisulfide   3308 586 17619-36-2 154.30 C4 H10 S3 Pale yellow, mobile liquid with powerful, penetrating, warm, herbaceous odour somewhat reminiscent of onion - - 52 (1.2 mm Hg) - 45   1.558-1.570 1.095-1.101 Also contains min. 25% dipropyl trisulfide, 12% dipropyl disulfide, 14% dimethyl disulfide, 3% methyl propyl sulfide, 53rd/N,T
585 Dipropyl trisulfide Dipropyl trisulfide   3276 726 6028-61-1 182.36 C6 H14 S3 colourless liquid with powerful, diffusive garlic-like odour almost insoluble in water; soluble in alcohol and oils - 98 (4mm Hg); 93 (6 mm Hg); 86-89 (1.5 mm Hg) - 99 (including up to 15% dipropyl disulfide)   1.542-1.590 0.952   53rd/N,T
586 Allyl methyl trisulfide Allyl methyl trisulfide Methyl allyl trisulfide 3253 11867 34135-85-8 152.29 C4 H8 S3 - - - 47 (0.8 mm Hg) - -   1.593-1.603 -   53rd/N,T
587 Diallyl trisulfide Diallyl trisulfide Allyl trisulfide 3265 486 2050-87-5 178.33 C6 H10 S3 yellow liquid with disagreeable odour insoluble in water and alcohol; miscible with ether - 112-120 (16 mm Hg) 95-97 (5 mm Hg); 70 (1.0 mm Hg) - 35   1.600-1.620 1.135-1.170   53rd/N,T
588 Diallyl polysulfide Mixture of diallyl di-, tri-, tetra-, and pentasulfides 2-Propenyl polysulfides 3533 11912 72869-75-1   C6 H10 Sx (x=2-5) pale yellow liquid with strong garlic-like odour insoluble in water; slightly soluble in alcohol; miscible in oil - 68 (15 mm Hg) IR, NMR -   1.643-1.653 1.220 (20) allyl disulfides 2-10%; allyl trisulfides 20-30%; allyl tetrasulfides 30-40%; allyl pentasulfides 30-40% 53rd/N,T
589 2-Oxobutyric acid 2-Oxobutyric acid alpha-Ketobutyric acid 3723   600-18-0 102.09 C4 H6 O3 - soluble in water and alcohol - 80-82 (16 mm Hg) - -   n/a 1.200 (d20/4) Melting Pt.: 31-32 53rd/N,T
590 Methyl 2-hydroxy-4-methylpentanoate Methyl 2-hydroxy-4-methylvalerate Methyl 2-hydroxyisocaproate 3706   40348-72-9 146.19 C7 H14 O3 colourless liquid with sweet, fruity, musty odour slightly soluble in water; soluble in fat - 72 (10 mm Hg) IR, MS, NMR 99   1.425-1.435 -   53rd/N,T
591 Methyl 2-oxo-3-methylpentanoate Methyl 2-oxo-3-methylvalerate Methyl 2-keto-3-methylvalerate; Methyl 3-methyl-2-oxovalerate 3713   3682-42-6 144.17 C7 H12 O3 liquid slightly soluble in water; soluble in fat - - IR, MS, NMR 99   1.416-1.426 -   53rd/N,T
592 Citronelloxyacetaldehyde 6,10-Dimethyl-3-oxa-9-undecenal 6,10-Dimethyl-3-oxa-9-undecenal 2310 2012 7492-67-3 198.31 C12 H22 O2 colourless viscous liquid with strong floral odour insoluble in water; soluble in alcohol - 239; 130 (12 mm Hg) - 83   1.461-1.471 0.922 (20)   53rd/N,T
593 3-Oxobutanal dimethyl acetal 4,4-Dimethoxy-2-butanone Acetylaldehyde dimethylacetal; 3-Ketobutyraldehyde dimethyl acetal 3381 10029 5436-21-5 132.16 C6 H12 O3 - - - 178 IR, NMR 96   1.414-1.424 0.993-0.998   53rd/N
594 Ethyl 3-Hydroxybutyrate Ethyl 3-hydroxybutyrate Ethyl 3-hydroxybutanoate 3428 10596 5405-41-4 132.16 C6 H12 O3 colourless viscous liquid with fruity grape green odour 100 g in 100 ml water at 23C - 170; 67 (4 mm Hg) - 99   1.416-1.424 1.010-1.017   53rd/N,T
595 Ethyl acetoacetate Ethyl 3-oxobutyrate Acetoacetic ester; Ethyl acetylacetate; Ethyl 3-ketobuyrate; Ethyl 3-oxobutanoate 2415 240 141-97-9 130.14 C6 H10 O3 clear, colourless to yellow mobile liquid; fruity taste; fruity, sweet, and rum-like odour miscible in alcohol, ether, ethyl acetate, 1 ml in 12 ml water - 181 IR 97.5 5.0 1.418-1.421 1.022-1.027   53rd/N
596 Butyl acetoacetate Butyl 3-oxobutyrate Butyl 3-ketobutanoate; Butyl beta-ketobutanoate; Butyl beta-ketobutyrate; Butyl 3- oxobutanoate 2176 241 591-60-6 158.20 C8 H14 O3 colourless liquid; fruity taste; sweet, brandy-like odour of fermented fruit insoluble in water; soluble in alcohol and oil - 205;100-103 (16 mm Hg) - -   1.425-1.435 0.976   53rd/N,T
597 Isobutyl acetoacetate 2-Methylpropyl 3-oxobutyrate iso-Butyl acetoacetate; iso-Butyl beta-ketobutyrate; iso-Butyl 3-oxobutanoate; Isobutyl beta-ketobutyrate; Isobutyl 3-oxobutanoate 2177 242 7779-75-1 158.20 C8 H14 O3 colourless liquid; fruity taste; sweet, fruity odour of brandy insoluble in water; soluble in alcohol and oil - 196; 84.5 (11 mm Hg) - -   1.422-1.432 0.970   53rd/N,T
598 Isoamyl acetoacetate 3-Methylbutyl 3-oxobutyrate iso-Amyl acetoacetate; iso-Amyl beta-ketobutyrate; iso-Amyl 3-oxobutanoate; Isobutyl beta-ketobutyrate; Isobutyl 3-oxobutanoate 3551 227 2308-18-1 172.23 C9 H16 O3 colourless liquid; ethereal, fruity, somewhat herbaceous, winey, fermented apple-like odour insoluble in water; soluble in alcohol - 222-224 - -   - 0.954 (10)   53rd/N,T
599 Geranyl acetoacetate 3,7-Dimethylocta-2(trans),6-dienyl 3-oxobutyrate trans-3,7-Dimethyl-2,6-octadien-1-yl acetoacetate; Geranyl beta-ketobutyrate; Geranyl 3-oxobutanoate 2510 243 10032-00-5 238.32 C14 H22 O3 colourless to pale yellow oily liquid with sweet, fruity, winey, fermented apple-like odour insoluble in water; soluble in alcohol and oil 1 ml in 1 ml 95% alcohol 127-129 (22 mm Hg) - 97   1.426-1.433 0.958-0.966   53rd/N,T
600 Methyl 3-hydroxyhexanoate Methyl 3-hydroxyhexanoate Methyl 3-hdroxycaproate; Methyl beta-hydroxycaproate; Methyl beta-hydroxyhexanoate 3508 10812 21188-58-9 146.19 C7 H14 O3 colourless to pale yellow liquid insoluble in water and fat - - IR 95   1.410-1.440 0.994-1.010   53rd/N,T
601 Ethyl 3-hydroxyhexanoate Ethyl 3-hydroxyhexanoate Ethyl 3-hydroxycaproate 3545 11764 2305-25-1 160.21 C8 H16 O3 colourless to pale yellow liquid with fruity odour insoluble in water and oils - 101-102 (14 mm Hg); 85-90 (10 mm Hg); 62 (0.7 mm Hg) IR, NMR 95 1.0 1.424-1.433 0.967-0.976   53rd/N
602 Ethyl 3-oxohexanoate Ethyl 3-oxohexanoate Ethyl beta-ketohexanoate 3683   3249-68-1 158.20 C8 H14 O3 colourless liquid with fruity, slightly fatty odour slightly soluble in water; soluble in fat - 90 (10 mm Hg); 104 (22 mm Hg) IR, NMR 96 (+ 2-3% ethyl 2-acetyl-3-oxohexanoate)   1.430-1.436 1.000   53rd/N
603 Ethyl 2,4-dioxohexanoate Ethyl 2,4-dioxohexanoate Ethyl 2,4-diketocaproate 3278 11903 13246-52-1 172.18 C8 H12 O4 - - - 100-105 (6 mm Hg) - 98   - -   53rd/N,T
604 3-(Hydroxymethyl)-2-heptanone 3-(Hydroxymethyl)-2-heptanone 2-Acetyl-1-hexanol; Methylol methyl amyl ketone 2804 592 65405-68-7 144.21 C8 H16 O2 colourless liquid with powerful, herbaceous, fruity, mildly spicy odour slightly soluble in water; soluble in alcohol - 94.6 (8-9 mm Hg) - -   - -   53rd/N,T
605 1,3-Nonanediol acetate (mixed esters) Mixture of 3-Acetoxynonyl acetate, 3-Hydroxynonyl acetate and 1-(2-Hydroxyethyl)heptyl acetate Diasmol; 3-Hexyl-1,3-propanediol acetate, mixed esters; Nonane diacetate 2783 2075 1322-17-4   C11 H22 O3 colourless to pale yellow, slightly oily liquid with floral odour similar to jasmine slightly soluble in water; soluble in alcohol and oils 1 ml in 1 ml 95% alcohol - - 70 1.0 1.441-1.453 0.964-0.978   53rd/N,T
606 Levulinic acid 4-Oxovaleric acid 3-Acetylpropionic acid; beta-Acetylpropionic acid; 3-Ketobutane-1-carboxylic acid; gamma-Ketovaleric acid; Laevulic acid; Laevulinic acid; 4-Oxopentanoic acid; gamma-Oxopentanoic acid; 4-Oxovaleric acid; gamma-Oxovaleric acid 2627 23 123-76-2 116.12 C5 H8 O3 yellow to brown liquid which may congeal; with mild caramellic odour soluble in water, alcohol, and oil 1 ml in 1 ml 95% alcohol 245 IR 97   1.440-1.445 1.136-1.142 Solidification Pt.: min. 27 53rd/N
607 Ethyl levulinate Ethyl 4-oxovalerate Ethyl acetylpropanoate; Ethyl gamma-ketovalerate; Ethyl laevulate; Ethyl 4-oxopentanoate 2442 373 539-88-8 144.17 C7 H12 O3 colourless to pale yellow liquid with apple odour soluble in water and alcohol 1 ml in 1 ml 95% alcohol 93-94 (18 mm Hg); 105 (24 mm Hg) IR 98 2.0 1.420-1.425 1.009-1.014   53rd/N
608 Butyl levulinate Butyl 4-oxovalerate n-Butyl acetopropionate; n-Butyl gamma-ketovalerate; n-Butyl levulinate 2207 374 2052-15-5 172.23 C9 H16 O3 colourless or straw-colored liquid; sweet and slightly pungent caramellic odour with fruity undertones; mild sweet caramellic-herbaceous taste; bitter taste slightly soluble in water; soluble in oil and alcohol - 238 IR 97   1.423-1.433 0.967-0.977   53rd/N
609 1,4-Nonanediol diacetate 1,4-Nonanediol diacetate   3579 11927 67715-81-5 244.33 C13 H24 O4 - - - - - -   - 0.970   53rd/N,T
610 Hydroxycitronellol 2,6-Dimethyl-2,8-octanediol Citronellol hydrate 2586 559 107-74-4 174.29 C10 H22 O2 colourless very viscous liquid; mild sweet odour slightly soluble in water; soluble in alcohol and oils 1 ml in 1 ml 60% alcohol 263; 156 (15 mm Hg) - -   1.455-1.460 0.922-0.930 Aldehyde content max.10% (as hydroxycitronellal) 53rd/N,T
611 Hydroxycitronellal 7-Hydroxy-3,7-dimethyloctanal Citronellaldehyde; 7-Hydroxy-3,7-dimethyloctanal; Oxdihydrocitronellal 2583 100 107-75-5 172.27 C10 H20 O2 colourless liquid with sweet floral lily-like odour slightly soluble in water; soluble in alcohol, propylene glycol, and oils; insoluble in glycerol 1 ml in 1 ml 50% alcohol 241; 94-96 (1 mm Hg) IR 95 5.0 1.447-1.450 0.918-0.923   53rd/N
612 Hydroxycitronellal dimethyl acetal 8,8-Dimethoxy-2,6-dimethyl-2-octanol 1,1-Dimethoxy-3,7-dimethyl-7-octanol 2585 45 141-92-4 218.34 C12 H26 O3 colourless, slightly oily liquid with delicate green floral taste and floral odour insoluble in water and glycerol; slightly soluble in alcohol; soluble in oils 1 ml in 2 ml 50% alcohol 252 IR 95 1.0 1.441-1.444 0.925-0.930 Aldehyde content max. 3% (as hydroxycitronellal) 53rd/N
613 Hydroxycitronellal diethyl acetal 8,8-Diethoxy-2,6-dimethyl-2-octanol 1,1-Diethoxy-3,7-dimethyl-7-octanol 2584 44 7779-94-4 246.39 C14 H30 O3 colourless slightly oily liquid; delicate green floral taste insoluble in water; soluble in alcohol and oil - 260; 135 (3 mm Hg) - 90   1.435-1.440 0.898-0.920   53rd/N,T
614 Diethyl malonate Diethyl propanedioate Ethyl malonate; Ethyl methanedicarboxylate; Ethyl propanedioate; Malonic ester 2375 2106 105-53-3 160.17 C7 H12 O4 colourless liquid with slightly fruity odour soluble in most fixed oils and propylene glycol; slightly soluble in alcohol and water; insoluble in glycine and mineral oil 1 ml in 1.5 ml 60% alcohol 199-200 IR 98 1.0 1.413-1.416 1.053-1.056   53rd/N
615 Butyl ethyl malonate Butyl ethyl propanedioate Ethyl butyl malonate 2195 384 17373-84-1 188.22 C9 H16 O4 - - - 222 - -   1.026-1.036 -   53rd/N,T
616 Dimethyl succinate Dimethyl butanedioate Dimethyl butanedioate; Methyl butandioate; Methyl succinate 2396 439 106-65-0 146.14 C6 H10 O4 colourless to pale yellow liquid, solidifying in the cold with pleasant ethereal-winey, slightly fruity odour slightly soluble to soluble in water; slightly soluble in alcohol; miscible in oils 1 ml in 1 ml 95% alcohol 195-196 IR 98 1.0 1.418-1.421 1.114-1.118   53rd/N
617 Diethyl succinate Diethyl butanedioate Diethyl butanedioate; Diethyl ethanedicarboxylate; Ethyl succinate 2377 438 123-25-1 174.20 C8 H14 O4 colourless mobile liquid with faint pleasant odour 1 ml in 50 ml water; miscible in alcohol, ether, oils - 216-218 IR 99 2.0 1.419-1.423 1.031-1.041 Diethyl maleate: max. 0.03%; Water: max. 0.05% 53rd/N
618 Fumaric acid 2(trans)-Butenedioic acid Allomaleic acid; Boletic acid; (E)-Butenedioic acid; (E)-1,2-Ethylenedicarboxylic acid 2488 25 110-17-8 116.07 C4 H4 O4 white odourless granules or leafy crystals; virtually odourless with tart acid taste insoluble to slightly soluble in water; soluble in alcohol; slightly soluble in oils. - n/a - 99.5   n/a n/a Heavy Metals: max. 10 ppm; Maleic acid: max 0.1%; Water: max. 0.5%; Residue on Ignition: max. 0.1%; sublimes at 200 53rd/R,T
619 (-)-Malic acid 2-Hydroxybutanedioic acid 2-Hydroxybutanedioic acid; Hydroxysuccinic acid 2655 17 97-67-6 134.09 C4 H6 O5 white crystalline powder, granules, or needles; acid taste; odourless or having a very faint caramellic acrid odour and a tart aciduous taste soluble in water and alcohol; 1 gm in 0.8 ml water 1 g in 1.4 ml alcohol n/a - 99   n/a n/a Fumaric Acid: max. 1.0%; Heavy Metals: max 10 ppm; Maleic acid: max. 0.05%; Residue on Ignition: max 0.1 %; Specific Rotation: -0.23 at 25; Water Insoluble Matter: max. 0.1% 53rd/R,T
620 Diethyl malate Diethyl 2-hydroxybutanedioate Diethyl 2-hydroxybutanedioate; Diethyl hydroxysuccinate; Ethyl malate; dl-Ethyl malate 2374 382 7554-12-3 190.20 C8 H14 O5 colourless liquid; mild, winey-fruity odour with pleasant herbaceous undertone soluble in water; miscible in alcohol and oil - 254; 91-92 (1 mm Hg) - 99   1.436-1.446 1.120-1.128   53rd/N,T
621 Tartaric acid (+)-, (-)-, (+/-)-, meso- 2,3-Dihydroxybutanedioic acid 2,3-Dihydroxybutanedioic acid; alpha,beta-Dihydroxysuccinic acid 3044 18 87-69-4 150.09 C4 H6 O6 colourless or translucent crystals, or a white, fine to granular crystaline powder which is odourless with an acid taste soluble in water and alcohol; 1 gm in 0.8 ml water 1 g in 3 ml 95% alcohol n/a IR 99.7   n/a n/a Melting Pt.: 170; Heavy Metals: max. 10 ppm: Loss on Drying: max. 0.5%; Oxalate: passes test; Residue on Ignition: max. 0.5%; Specific Rotation for (+)-isomer: +12.0 to +13.0 at 25; Sulfate: passes test 53rd/R
622 Diethyl tartrate Diethyl 2,3-dihydroxybutanedioate Diethyl 2,3-dihydroxybutanediaote; Diethyl 2,3-dihydroxysuccinate; Ethyl tartrate 2378 440 87-91-2 206.19 C8 H14 O6 colourless viscous liquid with very faint winey odour slightly soluble to insoluble in water; miscible in oil and alcohol - 280-281; 153 (12 mm Hg) IR 98   1.446-1.448 1.004-1.204 Melting Pt.: 151.5-154 53rd/N
623 Adipic acid Hexanedioic acid 1,4-Butanedicarboxylic acid; Hexanedioic acid 2011 26 124-04-9 146.14 C6 H10 O4 white crystals or crystalline powder; practically odourless; aqueous phase has a pleasant sour taste slightly soluble in water; soluble in alcohol and acetone - n/a IR 99.6   n/a n/a Heavy Metals: max. 10 ppm; Melting Range: 151.5 to 154; Residue on Ignition: max. 0.002%; Water: max. 0.2% 53rd/R
624 Diethyl sebacate Diethyl decanedioate Diethyl decanedioate; Diethyl 1,8-octanedicarboxylate; Ethyl decanedioate; Ethyl sebacate 2376 623 110-40-7 258.36 C14 H26 O4 colourless to yellow liquid with faint but pleasant winey-fruity odour resembling that of quince and melon insoluble in water; miscible in alcohol, ether, other organic solvents, most fixed oils - 302 IR 98 1.0 1.435-1.438 0.960-0.965   53rd/N
625 Dibutyl sebacate Dibutyl decanedioate Butyl sebacate; n-Butyl sebacate; Dibutyl decanedioate; Dibutyl 1,8-octanedicarboxylate 2373 622 109-43-3 314.47 C18 H34 O4 colourless to oily liquid; fruity but very mild odour with a very faint fruity oily taste insoluble in water; soluble in alcohol; miscible in oil - 345-349; 211-212 (11 mm Hg) IR 93   1.443 (15) 0.869 (20); 0.941 (15)   53rd/N
626 Ethylene brassylate 1,4-Dioxacycloheptadecan-5,17-dione Cyclo-1,13-ethylenedioxytridecan-1,13-dione; Tridecanedioic acid cyclic ethylene glycol diester 3543 10571 105-95-3 270.37 C15 H26 O4 colourless to pale yellow liquid with musk-like odour insoluble in water; soluble in alcohol 1 ml in 1 ml alcohol 138-142 (1 mm Hg) IR, NMR 97 1.0 1.468-1.473 1.040-1.045 Congealing pt. 0-7 53rd/N
627 Aconitic acid 1,2,3-Propenetricarboxylic acid Achelleic acid; 2-Carboxy glutaconic acid; Citridic acid; Equisetic acid; 1-Propene-1,2,3-tricarboxylic acid; 1,2,3-Propenetricarboxylic acid 2010 33 499-12-7 174.11 C6 H6 O6 colourless or yellow crystals, leaves, or plates; pleasant winey acid taste; almost odourless soluble in water and alcohol - n/a - 98 (on anhydrous basis)   n/a n/a Heavy Metals: max. 10 ppm; Oxalate: passes test; Readily Carbonizable Substances: passes test; Residue on Ignition: max 0.1%; Tridodecylamine: max. 0.1 mg/kg; UV Absorbance: 0.25 AU @ 280-289 nm, 0.20 AU @ 290-299 nm, 0.13 AU @ 300-359 nm. m.p.194-195 53rd/N,T
628 Ethyl aconitate (mixed esters) Mixture of mono- di- and tri-ethyl propene-1,2,3-tricarboxylate Ethyl 2-carboxyglutaconate; Ethyl 1-propene-1,2,3-tricarboxylate 2417 11845     C8 H14 O6 colourless, oily liquid with sweet, fruity, winey odour and taste slightly soluble in water; soluble in alcohol - 260; 172 (18 mm Hg) - -   1.457 (14.5) 1.096   53rd/N,T
629 Triethyl citrate Triethyl 2-hydroxy-1,2,3-propanetricarboxylate Ethyl citrate; Triethyl 2-hydroxy-1,2,3-propane- tricarboxylate 3083 11762 77-93-0 276.29 C12 H20 O7 practically colourless, oily liquid; bitter taste; little odour slightly soluble in water; miscible with alcohol and ether - - IR 99   1.440-1.444 1.138-1.100 Acidity: max 0.02% as citric acid; Heavy Metals; max. 10 ppm; Water: max. 0.25% 53rd/R,T
630 Tributyl acetylcitrate Tributyl 2-acetoxy-1,2,3-propanetricarboxylate Acetyl tributyl citrate 3080   77-90-7 402.48 C20 H34 O8 colourless, slightly viscous liquid with very faint sweet herbaceous odour insoluble in water; soulble in alcohol; miscible in oil - 172-174 (1 mm Hg) IR 99 0.02% - 1.140; 1.045-1.055   53rd/N,T
631 3-Methyl-2-oxobutanoic acid 3-Methyl-2-oxobutyric acid Butanoic acid, 3-methyl-2-oxo-; 3-Methyl-2-oxobutanoic acid; 2-Oxoisovaleric acid; dimethylpyruvic acid 3869   759-05-7 116.10 C5 H8 O3 pale yellow liquid soluble in water at >1000 g/l at 20C and white petrolatum <100 g/kg at 20C - 251 MS, NMR 97   1.436-1.446 1.115-1.120 Melting Pt.: 17 53rd/N
631.1 3-Methyl-2-oxobutanoic acid, sodium salt Sodium 3-methyl-2-oxobutyrate Sodium, alpha-ketoisovalerate; Butanoic acid, 3-methyl-2-oxo-, sodium salt; Sodium 3-methyl-2-oxobutanoate 3869   3715-29-6 138.10 C5 H7 O3 Na - - - n/a - -   n/a n/a   53rd/N,T
632 3-Methyl-2-oxopentanoic acid 3-Methyl-2-oxovaleric acid 3-Methyl-2-oxovaleric acid; Methyl ethyl pyruvic acid 3870   1460-34-0 130.10 C6 H10 O3 white crystalline powder soluble in water >1000 g/l at 20C and white petrolatum < 100 g/kg at 20C - 233 IR, MS, NMR 99   n/a n/a Melting Pt.: 41.5 53rd/N
632.1 3-Methyl-2-oxopentanoic acid, sodium salt Sodium 3-methyl-2-oxovalerate Valeric acid, 3-methyl-2-oxo-, sodium salt 3870   3715-31-9 152.10 C6 H9 O3 Na - - - n/a - -   n/a n/a   53rd/N,T
633 4-Methyl-2-oxopentanoic acid 4-Methyl-2-oxovaleric acid 4-Methyl-2-oxovaleric acid; Isopropyl pyruvic acid 3871   816-66-0 130.10 C6 H10 O3 pale yellow liquid soluble in water at >1000 g/l at 20C and petrolatum at <100 g/kg at 20C - 251 MS, NMR 99   1.432-1.442 1.053-1.058   53rd/N
633.1 4-Methyl-2-oxopentanoic acid, sodium salt Sodium 4-methyl-2-oxovalerate Valeric acid, 4-methyl-2-oxo, sodium salt; Sodium 4-methyl-2-ketopentanoate; Sodium 4-methyl-2-oxopentanoate 3871   4502-00-5 152.10 C6 H9 O3 Na - - - n/a - -   n/a n/a   53rd/N,T
634 2-Oxopentanedioic acid 2-Oxopentanedioic acid Pentanedioic acid, 2-oxo-; 2-Oxopentanedioic acid; 2-Oxoglutaric acid; 2-Ketoglutaric acid; alpha-Ketoglutaric acid 3891   328-50-7 146.10 C5 H6 O5 white to pale yellow crystalline powder soluble in water at >1000 g/l at 20C and petrolatum at <100 g/kg at 20C - 323 IR, MS, NMR 99   n/a n/a Melting Pt.: 115.3 53rd/N
635 3-Hydroxy-2-oxopropionic acid 3-Hydroxy-2-oxopropionic acid   3843   1113-60-6 104.06 C3 H4 O4 white crystalline powder soluble in water at 50 g/l at 20C and white petrolatum at <100 g/kg at 20C - 257 IR, NMR 99   n/a n/a Melting Pt.: 82.4 53rd/N

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