Ethyl methyl trisulfide

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  • Identifiers

    CAS number
    31499-71-5

    Molecular formula
    C3H8S3

    SMILES
    CCSSSC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 89.18%
    Onion 85.81%
    Garlic 80.82%
    Alliaceous 73.6%
    Savory 56.15%
    Cooked 53.27%
    Vegetable 50.01%
    Green 48.07%
    Roasted 48.06%
    Meaty 45.45%

     

    Flavor
    Onion 80.09%
    Garlic 73.39%
    Sulfurous 67.53%
    Green 55.45%
    Cabbage 46.62%
    Alliaceous 46.32%
    Meaty 42.2%
    Sulfury 38.69%
    Sulfur 38.61%
    Metallic 33.72%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    4.52 (weak acid)

    Molecular weight
    140.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 201.00 to 202.00 °C. @ 760.00 mm Hg

    Flash point

    • 65.96 ˚C est.

    Solubility expt.

    • very slightly
    • very slightly soluble in water; soluble in alcohol and oils

  • Synonyms

    • Methyl ethyl trisulfide
    • ethyl methyl trisulfide
    • (methyltrisulfanyl)ethane
    • Trisulfide, ethyl methyl
    • 31499-71-5
    • 2,3,4-trithiahexane
    • 1-ethyl-3-methyltrisulfane
    • Methyl ethyl trisulphide
    • UNII-OIG918M987
    • OIG918M987
    • FEMA NO. 3861
    • FEMA 3861
    • DTXSID70185398
    • METHYL ETHYL TRISULFIDE [FHFI]
    • 2,3,4-Trithiohexane
    • (methyltrisulanyl)ethane
    • Ethyl methyl trisulphide
    • 1-Ethyl-3-methyltrisulphane
    • SCHEMBL3505510
    • DTXCID80107889
    • CHEBI:173584
    • AKOS006288251
    • NS00126577
    • Q27285674
    • 639-616-5

  • Applications

    Ethyl methyl trisulfide (CAS 31499-71-5) is used as an odorant and fragrance component in perfumery, may be evaluated as a flavor/aroma agent in limited applications, and can be used in cosmetics/personal care as a scent ingredient; in household products such as air fresheners to impart distinctive notes; in industrial manufacturing as an organosulfur intermediate and sulfur donor for polysulfide chemistry; and in polymers/plastics as a building block or additive for sulfur-containing materials; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.33
    methanol 247.91
    isopropanol 242.71
    water 0.81
    ethyl acetate 776.6
    n-propanol 237.11
    acetone 1251.34
    n-butanol 271.33
    acetonitrile 608.57
    DMF 2009.44
    toluene 743.17
    isobutanol 202.81
    1,4-dioxane 1612.77
    methyl acetate 713.93
    THF 2160.57
    2-butanone 849.36
    n-pentanol 196.58
    sec-butanol 223.12
    n-hexane 107.23
    ethylene glycol 94.17
    NMP 2228.17
    cyclohexane 342.21
    DMSO 1852.17
    n-butyl acetate 941.28
    n-octanol 263.34
    chloroform 1545.64
    n-propyl acetate 555.1
    acetic acid 436.14
    dichloromethane 1368.21
    cyclohexanone 2016.51
    propylene glycol 112.06
    isopropyl acetate 607.9
    DMAc 1274.35
    2-ethoxyethanol 407.29
    isopentanol 234.38
    n-heptane 194.82
    ethyl formate 500.23
    1,2-dichloroethane 996.21
    n-hexanol 334.24
    2-methoxyethanol 660.39
    isobutyl acetate 391.23
    tetrachloromethane 507.85
    n-pentyl acetate 560.39
    transcutol 1195.72
    n-heptanol 216.18
    ethylbenzene 330.78
    MIBK 604.43
    2-propoxyethanol 657.4
    tert-butanol 383.85
    MTBE 544.94
    2-butoxyethanol 390.36
    propionic acid 330.78
    o-xylene 489.03
    formic acid 102.85
    diethyl ether 585.02
    m-xylene 581.45
    p-xylene 430.88
    chlorobenzene 1004.0
    dimethyl carbonate 458.09
    n-octane 99.08
    formamide 207.12
    cyclopentanone 2320.66
    2-pentanone 879.76
    anisole 720.51
    cyclopentyl methyl ether 1163.88
    gamma-butyrolactone 1984.03
    1-methoxy-2-propanol 602.68
    pyridine 1308.75
    3-pentanone 745.55
    furfural 2093.85
    n-dodecane 77.77
    diethylene glycol 475.43
    diisopropyl ether 327.96
    tert-amyl alcohol 306.43
    acetylacetone 1428.24
    n-hexadecane 92.03
    acetophenone 734.41
    methyl propionate 657.55
    isopentyl acetate 738.81
    trichloroethylene 2055.5
    n-nonanol 245.62
    cyclohexanol 494.62
    benzyl alcohol 414.7
    2-ethylhexanol 317.81
    isooctanol 191.23
    dipropyl ether 646.72
    1,2-dichlorobenzene 1037.55
    ethyl lactate 259.16
    propylene carbonate 1066.5
    n-methylformamide 588.09
    2-pentanol 229.03
    n-pentane 105.7
    1-propoxy-2-propanol 606.85
    1-methoxy-2-propyl acetate 910.54
    2-(2-methoxypropoxy) propanol 470.09
    mesitylene 484.83
    ε-caprolactone 1377.19
    p-cymene 363.32
    epichlorohydrin 1564.42
    1,1,1-trichloroethane 1385.38
    2-aminoethanol 135.49
    morpholine-4-carbaldehyde 2246.26
    sulfolane 2673.19
    2,2,4-trimethylpentane 78.37
    2-methyltetrahydrofuran 1328.65
    n-hexyl acetate 671.33
    isooctane 84.79
    2-(2-butoxyethoxy)ethanol 572.98
    sec-butyl acetate 414.55
    tert-butyl acetate 832.91
    decalin 171.53
    glycerin 204.3
    diglyme 1193.24
    acrylic acid 347.03
    isopropyl myristate 369.69
    n-butyric acid 517.12
    acetyl acetate 753.19
    di(2-ethylhexyl) phthalate 284.84
    ethyl propionate 525.49
    nitromethane 1206.94
    1,2-diethoxyethane 783.25
    benzonitrile 883.79
    trioctyl phosphate 233.25
    1-bromopropane 552.09
    gamma-valerolactone 2627.74
    n-decanol 200.03
    triethyl phosphate 385.0
    4-methyl-2-pentanol 174.91
    propionitrile 478.85
    vinylene carbonate 1092.54
    1,1,2-trichlorotrifluoroethane 1029.5
    DMS 681.11
    cumene 239.86
    2-octanol 194.68
    2-hexanone 594.18
    octyl acetate 407.66
    limonene 562.79
    1,2-dimethoxyethane 994.55
    ethyl orthosilicate 358.11
    tributyl phosphate 286.92
    diacetone alcohol 696.81
    N,N-dimethylaniline 523.42
    acrylonitrile 669.02
    aniline 575.96
    1,3-propanediol 248.45
    bromobenzene 1238.55
    dibromomethane 925.82
    1,1,2,2-tetrachloroethane 1482.15
    2-methyl-cyclohexyl acetate 563.54
    tetrabutyl urea 434.07
    diisobutyl methanol 293.59
    2-phenylethanol 518.26
    styrene 491.69
    dioctyl adipate 458.53
    dimethyl sulfate 903.1
    ethyl butyrate 703.92
    methyl lactate 371.4
    butyl lactate 373.82
    diethyl carbonate 460.25
    propanediol butyl ether 367.12
    triethyl orthoformate 523.69
    p-tert-butyltoluene 393.47
    methyl 4-tert-butylbenzoate 618.01
    morpholine 1334.56
    tert-butylamine 252.44
    n-dodecanol 175.02
    dimethoxymethane 1066.46
    ethylene carbonate 887.21
    cyrene 601.96
    2-ethoxyethyl acetate 703.12
    2-ethylhexyl acetate 671.2
    1,2,4-trichlorobenzene 1140.1
    4-methylpyridine 1345.85
    dibutyl ether 524.32
    2,6-dimethyl-4-heptanol 293.59
    DEF 1046.62
    dimethyl isosorbide 1152.56
    tetrachloroethylene 984.9
    eugenol 541.18
    triacetin 686.55
    span 80 489.83
    1,4-butanediol 127.2
    1,1-dichloroethane 957.39
    2-methyl-1-pentanol 182.93
    methyl formate 563.03
    2-methyl-1-butanol 208.43
    n-decane 116.61
    butyronitrile 533.54
    3,7-dimethyl-1-octanol 283.06
    1-chlorooctane 331.89
    1-chlorotetradecane 180.75
    n-nonane 121.67
    undecane 91.94
    tert-butylcyclohexane 151.01
    cyclooctane 177.93
    cyclopentanol 550.58
    tetrahydropyran 1278.46
    tert-amyl methyl ether 467.52
    2,5,8-trioxanonane 902.61
    1-hexene 242.47
    2-isopropoxyethanol 335.8
    2,2,2-trifluoroethanol 221.56
    methyl butyrate 654.04

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction