Methylthiomethylmercaptan

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  • Identifiers

    CAS number
    29414-47-9

    Molecular formula
    C2H6S2

    SMILES
    CSCS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 84.77%
    Onion 73.7%
    Garlic 71.41%
    Meaty 65.34%
    Alliaceous 58.21%
    Savory 53.19%
    Cooked 48.9%
    Pungent 48.65%
    Roasted 45.87%
    Vegetable 45.74%

     

    Flavor
    Sulfurous 77.88%
    Onion 68.36%
    Garlic 63.23%
    Vegetable 51.35%
    Meaty 48.95%
    Sulfur 48.47%
    Cabbage 46.62%
    Sulfury 44.28%
    Green 38.22%
    Alliaceous 35.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.71 (weak base)

    Molecular weight
    94.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    133°C

    Flash point

    • 32.12 ˚C est.

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • METHYLTHIOMETHYLMERCAPTAN
    • Methylsulfanylmethanethiol
    • (Methylthio)methanethiol
    • 29414-47-9
    • methyl thiomethyl mercaptan
    • Methanethiol, (methylthio)-
    • FEMA No. 4185
    • Methylthiomethylmercaptan [FHFI]
    • W4XPB1I3RA
    • (methylsulfanyl)methanethiol
    • DTXSID70183632
    • UNII-W4XPB1I3RA
    • Dithiomethane, methyl
    • MeSCH2SH
    • DTXCID10106123
    • IXBUFAUQDFHNGI-UHFFFAOYSA-N
    • DB-223310
    • NS00122401
    • Q27292304

  • Applications

    Methylthiomethylmercaptan (CAS 29414-47-9) is a sulfur-containing thiol-building block featuring a methylthio group (–S–CH3) linked to a thiol moiety (–CH2–SH). It is used primarily as an intermediate in organic synthesis to introduce thiomethylthio functionality. It is commonly evaluated as an odorant or fragrance intermediate in perfumery and as a flavor precursor in food-related formulations, under appropriate regulatory controls. It serves as a building block for sulfur-containing polymers and specialty chemicals, including thioether-containing intermediates and crosslinking agents. In surface chemistry and electronics, it can provide thiol functionality for self-assembled monolayers on metal substrates. It may also be employed in coatings, inks, and adhesive formulations as a reactive sulfur-containing reagent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 244.71
    methanol 278.82
    isopropanol 162.71
    water 4.3
    ethyl acetate 134.66
    n-propanol 196.25
    acetone 245.94
    n-butanol 193.54
    acetonitrile 154.8
    DMF 251.58
    toluene 68.02
    isobutanol 119.75
    1,4-dioxane 312.47
    methyl acetate 146.07
    THF 456.39
    2-butanone 201.22
    n-pentanol 129.59
    sec-butanol 152.87
    n-hexane 22.27
    ethylene glycol 82.43
    NMP 248.35
    cyclohexane 49.21
    DMSO 333.17
    n-butyl acetate 169.52
    n-octanol 85.43
    chloroform 372.05
    n-propyl acetate 98.57
    acetic acid 272.45
    dichloromethane 236.99
    cyclohexanone 261.84
    propylene glycol 102.6
    isopropyl acetate 74.78
    DMAc 205.34
    2-ethoxyethanol 172.44
    isopentanol 128.32
    n-heptane 49.68
    ethyl formate 114.34
    1,2-dichloroethane 145.94
    n-hexanol 189.17
    2-methoxyethanol 291.36
    isobutyl acetate 62.04
    tetrachloromethane 97.62
    n-pentyl acetate 102.12
    transcutol 427.94
    n-heptanol 114.54
    ethylbenzene 27.54
    MIBK 77.02
    2-propoxyethanol 249.9
    tert-butanol 161.32
    MTBE 102.39
    2-butoxyethanol 170.89
    propionic acid 177.74
    o-xylene 45.01
    formic acid 103.49
    diethyl ether 156.81
    m-xylene 42.14
    p-xylene 40.18
    chlorobenzene 105.8
    dimethyl carbonate 47.62
    n-octane 16.03
    formamide 136.28
    cyclopentanone 337.98
    2-pentanone 164.05
    anisole 78.8
    cyclopentyl methyl ether 167.63
    gamma-butyrolactone 275.47
    1-methoxy-2-propanol 203.34
    pyridine 265.09
    3-pentanone 125.77
    furfural 279.61
    n-dodecane 10.1
    diethylene glycol 205.98
    diisopropyl ether 40.53
    tert-amyl alcohol 139.14
    acetylacetone 148.81
    n-hexadecane 10.83
    acetophenone 79.26
    methyl propionate 115.19
    isopentyl acetate 105.95
    trichloroethylene 294.19
    n-nonanol 75.0
    cyclohexanol 151.0
    benzyl alcohol 89.7
    2-ethylhexanol 112.91
    isooctanol 77.98
    dipropyl ether 137.34
    1,2-dichlorobenzene 84.22
    ethyl lactate 53.88
    propylene carbonate 134.69
    n-methylformamide 147.03
    2-pentanol 119.63
    n-pentane 31.8
    1-propoxy-2-propanol 198.72
    1-methoxy-2-propyl acetate 111.06
    2-(2-methoxypropoxy) propanol 109.02
    mesitylene 26.54
    ε-caprolactone 185.35
    p-cymene 41.19
    epichlorohydrin 228.05
    1,1,1-trichloroethane 147.17
    2-aminoethanol 139.41
    morpholine-4-carbaldehyde 251.19
    sulfolane 292.02
    2,2,4-trimethylpentane 12.46
    2-methyltetrahydrofuran 250.27
    n-hexyl acetate 99.1
    isooctane 9.16
    2-(2-butoxyethoxy)ethanol 178.5
    sec-butyl acetate 55.4
    tert-butyl acetate 78.96
    decalin 13.92
    glycerin 147.17
    diglyme 280.08
    acrylic acid 161.82
    isopropyl myristate 42.68
    n-butyric acid 219.79
    acetyl acetate 88.58
    di(2-ethylhexyl) phthalate 47.01
    ethyl propionate 71.28
    nitromethane 252.59
    1,2-diethoxyethane 171.06
    benzonitrile 109.06
    trioctyl phosphate 38.25
    1-bromopropane 100.88
    gamma-valerolactone 307.88
    n-decanol 55.23
    triethyl phosphate 49.0
    4-methyl-2-pentanol 60.0
    propionitrile 142.52
    vinylene carbonate 133.06
    1,1,2-trichlorotrifluoroethane 235.05
    DMS 60.43
    cumene 22.62
    2-octanol 67.6
    2-hexanone 115.07
    octyl acetate 59.19
    limonene 69.55
    1,2-dimethoxyethane 206.87
    ethyl orthosilicate 52.57
    tributyl phosphate 42.42
    diacetone alcohol 126.34
    N,N-dimethylaniline 56.26
    acrylonitrile 161.5
    aniline 131.98
    1,3-propanediol 171.57
    bromobenzene 86.95
    dibromomethane 170.62
    1,1,2,2-tetrachloroethane 233.25
    2-methyl-cyclohexyl acetate 76.76
    tetrabutyl urea 58.95
    diisobutyl methanol 55.73
    2-phenylethanol 116.48
    styrene 41.55
    dioctyl adipate 61.21
    dimethyl sulfate 75.55
    ethyl butyrate 115.45
    methyl lactate 77.58
    butyl lactate 85.85
    diethyl carbonate 62.95
    propanediol butyl ether 128.73
    triethyl orthoformate 86.09
    p-tert-butyltoluene 39.51
    methyl 4-tert-butylbenzoate 82.59
    morpholine 320.94
    tert-butylamine 107.33
    n-dodecanol 44.2
    dimethoxymethane 158.03
    ethylene carbonate 109.94
    cyrene 102.52
    2-ethoxyethyl acetate 115.12
    2-ethylhexyl acetate 94.02
    1,2,4-trichlorobenzene 110.53
    4-methylpyridine 185.63
    dibutyl ether 93.13
    2,6-dimethyl-4-heptanol 55.73
    DEF 154.43
    dimethyl isosorbide 160.38
    tetrachloroethylene 204.67
    eugenol 91.67
    triacetin 94.31
    span 80 121.13
    1,4-butanediol 78.69
    1,1-dichloroethane 145.79
    2-methyl-1-pentanol 94.03
    methyl formate 109.35
    2-methyl-1-butanol 125.32
    n-decane 17.76
    butyronitrile 154.45
    3,7-dimethyl-1-octanol 67.02
    1-chlorooctane 47.3
    1-chlorotetradecane 19.65
    n-nonane 18.01
    undecane 12.51
    tert-butylcyclohexane 13.99
    cyclooctane 16.63
    cyclopentanol 170.38
    tetrahydropyran 289.85
    tert-amyl methyl ether 84.59
    2,5,8-trioxanonane 204.66
    1-hexene 63.09
    2-isopropoxyethanol 119.34
    2,2,2-trifluoroethanol 94.87
    methyl butyrate 99.6

    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