Methanedithiol

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  • Identifiers

    CAS number
    6725-64-0

    Molecular formula
    CH4S2

    SMILES
    C(S)S

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Meaty 78.35%
    Sulfurous 78.11%
    Onion 60.54%
    Garlic 56.04%
    Savory 49.41%
    Roasted 48.31%
    Cooked 44.09%
    Alliaceous 42.66%
    Pungent 39.69%
    Burnt 35.34%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.06 (neutral)

    Molecular weight
    80.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 118.00 °C. @ 760.00 mm Hg

    Flash point est.
    14.73 ˚C

    Solubility expt.

    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Methanedithiol
    • Dimercaptomethane
    • dithiomethane
    • 6725-64-0
    • UNII-LSC543N4PH
    • LSC543N4PH
    • METHANE DITHIOL
    • FEMA NO. 4097
    • DTXSID50217580
    • dithiocarbon
    • DIMERCAPTOMETHANE[FHFI]
    • DIMERCAPTOMETHANE [FHFI]
    • DTXCID00140071
    • NS00122272
    • Q27283159
    • 639-192-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 121.9
    methanol 154.92
    isopropanol 80.15
    water 2.91
    ethyl acetate 41.72
    n-propanol 84.45
    acetone 154.05
    n-butanol 73.36
    acetonitrile 54.94
    DMF 181.73
    toluene 18.49
    isobutanol 52.12
    1,4-dioxane 107.63
    methyl acetate 50.11
    THF 230.42
    2-butanone 80.3
    n-pentanol 44.85
    sec-butanol 55.35
    n-hexane 8.76
    ethylene glycol 68.62
    NMP 164.89
    cyclohexane 18.38
    DMSO 278.31
    n-butyl acetate 68.74
    n-octanol 36.92
    chloroform 106.85
    n-propyl acetate 42.76
    acetic acid 181.42
    dichloromethane 83.1
    cyclohexanone 129.14
    propylene glycol 65.83
    isopropyl acetate 27.99
    DMAc 99.28
    2-ethoxyethanol 69.55
    isopentanol 45.5
    n-heptane 21.3
    ethyl formate 45.43
    1,2-dichloroethane 60.65
    n-hexanol 73.62
    2-methoxyethanol 130.98
    isobutyl acetate 30.25
    tetrachloromethane 26.43
    n-pentyl acetate 39.18
    transcutol 174.97
    n-heptanol 41.24
    ethylbenzene 10.27
    MIBK 33.52
    2-propoxyethanol 111.48
    tert-butanol 75.35
    MTBE 34.02
    2-butoxyethanol 68.74
    propionic acid 86.47
    o-xylene 14.75
    formic acid 73.64
    diethyl ether 42.92
    m-xylene 14.41
    p-xylene 14.12
    chlorobenzene 32.81
    dimethyl carbonate 27.15
    n-octane 6.94
    formamide 78.45
    cyclopentanone 192.6
    2-pentanone 63.43
    anisole 28.05
    cyclopentyl methyl ether 76.68
    gamma-butyrolactone 160.13
    1-methoxy-2-propanol 93.27
    pyridine 90.59
    3-pentanone 47.58
    furfural 132.0
    n-dodecane 5.54
    diethylene glycol 105.19
    diisopropyl ether 13.55
    tert-amyl alcohol 46.65
    acetylacetone 70.85
    n-hexadecane 5.95
    acetophenone 34.66
    methyl propionate 45.15
    isopentyl acetate 49.75
    trichloroethylene 112.62
    n-nonanol 33.38
    cyclohexanol 68.06
    benzyl alcohol 34.24
    2-ethylhexanol 44.92
    isooctanol 30.27
    dipropyl ether 56.1
    1,2-dichlorobenzene 29.33
    ethyl lactate 30.95
    propylene carbonate 72.05
    n-methylformamide 93.58
    2-pentanol 44.23
    n-pentane 11.91
    1-propoxy-2-propanol 98.51
    1-methoxy-2-propyl acetate 55.73
    2-(2-methoxypropoxy) propanol 63.92
    mesitylene 10.57
    ε-caprolactone 82.8
    p-cymene 19.53
    epichlorohydrin 108.29
    1,1,1-trichloroethane 53.48
    2-aminoethanol 83.58
    morpholine-4-carbaldehyde 131.02
    sulfolane 210.2
    2,2,4-trimethylpentane 5.02
    2-methyltetrahydrofuran 108.15
    n-hexyl acetate 46.99
    isooctane 4.59
    2-(2-butoxyethoxy)ethanol 85.4
    sec-butyl acetate 23.39
    tert-butyl acetate 34.02
    decalin 6.43
    glycerin 88.47
    diglyme 128.58
    acrylic acid 95.2
    isopropyl myristate 24.33
    n-butyric acid 92.23
    acetyl acetate 34.99
    di(2-ethylhexyl) phthalate 30.44
    ethyl propionate 30.56
    nitromethane 143.61
    1,2-diethoxyethane 56.77
    benzonitrile 39.87
    trioctyl phosphate 25.4
    1-bromopropane 39.89
    gamma-valerolactone 166.65
    n-decanol 27.63
    triethyl phosphate 25.45
    4-methyl-2-pentanol 23.72
    propionitrile 44.85
    vinylene carbonate 65.28
    1,1,2-trichlorotrifluoroethane 116.15
    DMS 31.65
    cumene 9.75
    2-octanol 25.57
    2-hexanone 50.25
    octyl acetate 33.79
    limonene 33.04
    1,2-dimethoxyethane 88.21
    ethyl orthosilicate 25.03
    tributyl phosphate 27.89
    diacetone alcohol 58.18
    N,N-dimethylaniline 24.49
    acrylonitrile 59.85
    aniline 43.66
    1,3-propanediol 85.21
    bromobenzene 25.29
    dibromomethane 63.39
    1,1,2,2-tetrachloroethane 93.17
    2-methyl-cyclohexyl acetate 42.37
    tetrabutyl urea 45.07
    diisobutyl methanol 27.69
    2-phenylethanol 48.12
    styrene 14.39
    dioctyl adipate 38.94
    dimethyl sulfate 47.07
    ethyl butyrate 47.29
    methyl lactate 42.63
    butyl lactate 41.87
    diethyl carbonate 29.0
    propanediol butyl ether 69.9
    triethyl orthoformate 37.84
    p-tert-butyltoluene 20.02
    methyl 4-tert-butylbenzoate 45.23
    morpholine 128.96
    tert-butylamine 45.11
    n-dodecanol 23.89
    dimethoxymethane 83.14
    ethylene carbonate 51.25
    cyrene 61.33
    2-ethoxyethyl acetate 43.58
    2-ethylhexyl acetate 41.47
    1,2,4-trichlorobenzene 40.29
    4-methylpyridine 57.34
    dibutyl ether 33.65
    2,6-dimethyl-4-heptanol 27.69
    DEF 64.15
    dimethyl isosorbide 95.09
    tetrachloroethylene 73.03
    eugenol 53.94
    triacetin 47.45
    span 80 78.25
    1,4-butanediol 39.74
    1,1-dichloroethane 55.33
    2-methyl-1-pentanol 29.99
    methyl formate 66.95
    2-methyl-1-butanol 42.08
    n-decane 8.14
    butyronitrile 47.38
    3,7-dimethyl-1-octanol 31.44
    1-chlorooctane 21.6
    1-chlorotetradecane 11.51
    n-nonane 8.14
    undecane 6.48
    tert-butylcyclohexane 6.26
    cyclooctane 6.61
    cyclopentanol 103.36
    tetrahydropyran 107.54
    tert-amyl methyl ether 28.66
    2,5,8-trioxanonane 109.13
    1-hexene 20.57
    2-isopropoxyethanol 47.82
    2,2,2-trifluoroethanol 60.42
    methyl butyrate 43.56

    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