1-Methylthioethanethiol

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  • Identifiers

    CAS number
    31331-53-0

    Molecular formula
    C3H8S2

    SMILES
    CC(S)SC

  • Odor profile

    Fragrance
    Sulfurous 79.78%
    Onion 71.03%
    Meaty 69.8%
    Garlic 62.23%
    Alliaceous 54.44%
    Roasted 53.28%
    Savory 52.94%
    Cooked 43.75%
    Burnt 39.07%
    Coffee 38.23%

     

    Flavor
    Sulfurous 76.73%
    Onion 71.24%
    Garlic 58.02%
    Meaty 49.97%
    Green 42.53%
    Sulfury 41.69%
    Cabbage 40.62%
    Alliaceous 39.93%
    Vegetable 35.67%
    Sulfur 35.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.45 (weak base)

    Molecular weight
    108.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    136°C

    Flash point

    • 24.31 ˚C est.

  • Synonyms

    • 1-(methylthio)ethanethiol
    • 31331-53-0
    • 1-Methylthioethanethiol
    • 1-methylsulfanylethanethiol
    • 2-Thiabutane-3-thiol
    • TBV65HT2J5
    • 1-(Methylthio)-1-ethanethiol
    • 1-(Methylthio)ethane-1-thiol
    • Ethanethiol, 1-(methylthio)-
    • UNII-TBV65HT2J5
    • 1-(methylsulfanyl)ethane-1-thiol
    • 1-Methylthioethanthiol
    • 1-(methylsulfanyl)ethanethiol
    • SCHEMBL471132
    • 1-(methyl thio) ethane thiol
    • 1-Ethanethiol, 1-(methylthio)
    • DTXSID50335495
    • GHIADNFHCKUPJL-UHFFFAOYSA-N
    • AKOS006303601
    • FM153192
    • NS00121608

  • Applications

    1-Methylthioethanethiol is a sulfur-containing mercaptan that is typically used as an odorant and aroma contributor in fragrance and cosmetic formulations. It also serves as a reactive intermediate for the synthesis of more complex sulfur-containing compounds in specialty chemicals. As a small thiol/thioether, it can act as a building block in polymer and materials chemistry, including surface functionalization of metal substrates through thiol chemistry. In flavor chemistry, it may be evaluated as a volatile aroma precursor or contributor under controlled conditions. Mercaptans are commonly used for gas odorization to aid leak detection, and this compound could be considered in such contexts, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 337.54
    methanol 296.83
    isopropanol 263.34
    water 3.96
    ethyl acetate 352.92
    n-propanol 300.14
    acetone 362.03
    n-butanol 314.54
    acetonitrile 284.85
    DMF 351.86
    toluene 192.81
    isobutanol 193.02
    1,4-dioxane 541.9
    methyl acetate 307.44
    THF 700.89
    2-butanone 354.39
    n-pentanol 212.15
    sec-butanol 292.96
    n-hexane 45.3
    ethylene glycol 84.63
    NMP 341.1
    cyclohexane 79.81
    DMSO 304.36
    n-butyl acetate 309.0
    n-octanol 184.84
    chloroform 785.95
    n-propyl acetate 198.7
    acetic acid 328.75
    dichloromethane 456.72
    cyclohexanone 396.19
    propylene glycol 147.29
    isopropyl acetate 218.42
    DMAc 387.5
    2-ethoxyethanol 296.77
    isopentanol 221.24
    n-heptane 86.18
    ethyl formate 195.47
    1,2-dichloroethane 237.42
    n-hexanol 330.46
    2-methoxyethanol 430.34
    isobutyl acetate 126.75
    tetrachloromethane 215.21
    n-pentyl acetate 213.02
    transcutol 757.43
    n-heptanol 214.87
    ethylbenzene 83.94
    MIBK 182.89
    2-propoxyethanol 424.78
    tert-butanol 316.46
    MTBE 275.34
    2-butoxyethanol 299.92
    propionic acid 259.25
    o-xylene 132.16
    formic acid 111.34
    diethyl ether 341.79
    m-xylene 131.52
    p-xylene 113.08
    chlorobenzene 228.1
    dimethyl carbonate 115.15
    n-octane 32.88
    formamide 157.0
    cyclopentanone 458.16
    2-pentanone 310.15
    anisole 213.51
    cyclopentyl methyl ether 312.74
    gamma-butyrolactone 402.28
    1-methoxy-2-propanol 369.14
    pyridine 409.19
    3-pentanone 256.83
    furfural 432.62
    n-dodecane 22.87
    diethylene glycol 295.62
    diisopropyl ether 116.25
    tert-amyl alcohol 309.24
    acetylacetone 306.7
    n-hexadecane 24.92
    acetophenone 182.67
    methyl propionate 246.16
    isopentyl acetate 229.44
    trichloroethylene 528.47
    n-nonanol 169.78
    cyclohexanol 237.87
    benzyl alcohol 171.74
    2-ethylhexanol 211.02
    isooctanol 150.79
    dipropyl ether 272.38
    1,2-dichlorobenzene 191.06
    ethyl lactate 111.55
    propylene carbonate 241.86
    n-methylformamide 194.43
    2-pentanol 246.68
    n-pentane 67.82
    1-propoxy-2-propanol 374.8
    1-methoxy-2-propyl acetate 265.54
    2-(2-methoxypropoxy) propanol 231.32
    mesitylene 84.33
    ε-caprolactone 329.76
    p-cymene 99.46
    epichlorohydrin 379.21
    1,1,1-trichloroethane 381.86
    2-aminoethanol 181.11
    morpholine-4-carbaldehyde 402.19
    sulfolane 368.05
    2,2,4-trimethylpentane 35.92
    2-methyltetrahydrofuran 457.48
    n-hexyl acetate 235.68
    isooctane 26.73
    2-(2-butoxyethoxy)ethanol 329.44
    sec-butyl acetate 147.76
    tert-butyl acetate 236.97
    decalin 35.13
    glycerin 186.08
    diglyme 512.77
    acrylic acid 213.54
    isopropyl myristate 106.9
    n-butyric acid 368.7
    acetyl acetate 238.55
    di(2-ethylhexyl) phthalate 94.14
    ethyl propionate 175.73
    nitromethane 387.67
    1,2-diethoxyethane 335.55
    benzonitrile 216.99
    trioctyl phosphate 75.8
    1-bromopropane 201.82
    gamma-valerolactone 478.7
    n-decanol 121.88
    triethyl phosphate 105.24
    4-methyl-2-pentanol 136.5
    propionitrile 260.69
    vinylene carbonate 234.13
    1,1,2-trichlorotrifluoroethane 374.75
    DMS 139.13
    cumene 63.94
    2-octanol 140.04
    2-hexanone 221.12
    octyl acetate 140.73
    limonene 158.89
    1,2-dimethoxyethane 377.72
    ethyl orthosilicate 114.29
    tributyl phosphate 84.21
    diacetone alcohol 277.71
    N,N-dimethylaniline 138.05
    acrylonitrile 256.27
    aniline 247.99
    1,3-propanediol 246.72
    bromobenzene 215.33
    dibromomethane 325.53
    1,1,2,2-tetrachloroethane 439.54
    2-methyl-cyclohexyl acetate 169.36
    tetrabutyl urea 103.73
    diisobutyl methanol 119.17
    2-phenylethanol 220.05
    styrene 115.15
    dioctyl adipate 137.33
    dimethyl sulfate 148.15
    ethyl butyrate 244.58
    methyl lactate 151.17
    butyl lactate 158.81
    diethyl carbonate 147.68
    propanediol butyl ether 236.63
    triethyl orthoformate 193.36
    p-tert-butyltoluene 103.84
    methyl 4-tert-butylbenzoate 188.01
    morpholine 537.54
    tert-butylamine 209.38
    n-dodecanol 91.01
    dimethoxymethane 260.32
    ethylene carbonate 196.27
    cyrene 195.84
    2-ethoxyethyl acetate 252.98
    2-ethylhexyl acetate 200.47
    1,2,4-trichlorobenzene 246.57
    4-methylpyridine 340.79
    dibutyl ether 194.32
    2,6-dimethyl-4-heptanol 119.17
    DEF 286.9
    dimethyl isosorbide 324.91
    tetrachloroethylene 336.06
    eugenol 195.27
    triacetin 216.49
    span 80 232.06
    1,4-butanediol 105.0
    1,1-dichloroethane 339.35
    2-methyl-1-pentanol 180.1
    methyl formate 147.05
    2-methyl-1-butanol 225.2
    n-decane 41.24
    butyronitrile 291.6
    3,7-dimethyl-1-octanol 155.33
    1-chlorooctane 115.42
    1-chlorotetradecane 47.5
    n-nonane 40.96
    undecane 29.19
    tert-butylcyclohexane 35.67
    cyclooctane 35.11
    cyclopentanol 252.21
    tetrahydropyran 493.74
    tert-amyl methyl ether 232.45
    2,5,8-trioxanonane 364.05
    1-hexene 129.58
    2-isopropoxyethanol 221.62
    2,2,2-trifluoroethanol 135.1
    methyl butyrate 207.89

    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