Methyl hydrodisulfide

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  • Identifiers

    CAS number
    6251-26-9

    Molecular formula
    CH4S2

    SMILES
    CSS

  • Odor profile

    Sulfurous 87.27%
    Onion 79.47%
    Garlic 74.71%
    Meaty 59.34%
    Alliaceous 58.79%
    Savory 50.62%
    Vegetable 50.27%
    Cooked 48.25%
    Cabbage 46.48%
    Pungent 42.12%

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  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    80.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    75°C

    Flash point est.
    -9.36 ˚C

  • Synonyms

    • Methyl hydrodisulfide
    • Methyl hydrogen disulfide
    • Hydrogen methyl disulfide
    • Methyl sulfhydryl sulfide
    • 6251-26-9
    • DTXSID80334835
    • disulfanylmethane
    • methyldisulfane
    • METHANEDITHIOPEROXOL
    • DTXCID30285924
    • DTXSID20183506

  • Applications

    Methyl hydrodisulfide (CH3SSH, CAS 6251-26-9) is a highly reactive organosulfur species used mainly at research scale as: (i) a reagent/precursor to assemble asymmetric –S–S– linkages via thiol–disulfide exchange, enabling methylthio or sulfenyl functionalization of small molecules, peptides, and materials; (ii) a reduced sulfur source to generate polysulfides, metal disulfide salts, and to tune disulfide crosslink density in polymers; (iii) a mechanistic probe for redox and radical chemistry of S–H/S–S bonds, relevant to catalysis, rubber vulcanization, and lubricant aging; (iv) a reference/standard in odor science and in GC/GC–MS method development for volatile sulfur compounds, as well as for tracing low‑molecular disulfides in atmospheric, natural gas, and process streams; and (v) a sulfenylation/derivatization agent to enhance analytical detection of thiols; because of its volatility, strong odor, and instability, its use is typically confined to tightly controlled laboratories with strict safety measures.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 476.15
    methanol 510.06
    isopropanol 340.79
    water 33.45
    ethyl acetate 253.8
    n-propanol 351.53
    acetone 521.84
    n-butanol 326.72
    acetonitrile 296.53
    DMF 505.83
    toluene 181.68
    isobutanol 237.95
    1,4-dioxane 530.3
    methyl acetate 277.23
    THF 725.67
    2-butanone 395.84
    n-pentanol 222.94
    sec-butanol 294.19
    n-hexane 86.97
    ethylene glycol 226.21
    NMP 464.93
    cyclohexane 146.2
    DMSO 440.08
    n-butyl acetate 283.24
    n-octanol 188.54
    chloroform 453.9
    n-propyl acetate 186.29
    acetic acid 497.81
    dichloromethane 312.85
    cyclohexanone 442.11
    propylene glycol 251.41
    isopropyl acetate 172.1
    DMAc 423.48
    2-ethoxyethanol 328.54
    isopentanol 219.34
    n-heptane 155.47
    ethyl formate 161.98
    1,2-dichloroethane 215.23
    n-hexanol 351.47
    2-methoxyethanol 525.78
    isobutyl acetate 140.75
    tetrachloromethane 152.78
    n-pentyl acetate 168.57
    transcutol 691.0
    n-heptanol 200.75
    ethylbenzene 86.28
    MIBK 190.94
    2-propoxyethanol 503.43
    tert-butanol 339.79
    MTBE 253.32
    2-butoxyethanol 302.25
    propionic acid 307.49
    o-xylene 134.29
    formic acid 233.33
    diethyl ether 337.51
    m-xylene 129.16
    p-xylene 111.16
    chlorobenzene 175.42
    dimethyl carbonate 125.77
    n-octane 48.87
    formamide 253.25
    cyclopentanone 500.33
    2-pentanone 327.68
    anisole 184.07
    cyclopentyl methyl ether 390.4
    gamma-butyrolactone 397.66
    1-methoxy-2-propanol 419.08
    pyridine 367.69
    3-pentanone 294.86
    furfural 366.69
    n-dodecane 34.81
    diethylene glycol 391.21
    diisopropyl ether 121.28
    tert-amyl alcohol 267.7
    acetylacetone 282.69
    n-hexadecane 37.17
    acetophenone 169.88
    methyl propionate 245.93
    isopentyl acetate 215.72
    trichloroethylene 375.21
    n-nonanol 166.34
    cyclohexanol 320.54
    benzyl alcohol 160.0
    2-ethylhexanol 219.21
    isooctanol 142.68
    dipropyl ether 317.59
    1,2-dichlorobenzene 149.68
    ethyl lactate 131.81
    propylene carbonate 212.44
    n-methylformamide 287.09
    2-pentanol 255.57
    n-pentane 119.25
    1-propoxy-2-propanol 445.65
    1-methoxy-2-propyl acetate 257.04
    2-(2-methoxypropoxy) propanol 242.56
    mesitylene 86.58
    ε-caprolactone 318.64
    p-cymene 104.64
    epichlorohydrin 367.46
    1,1,1-trichloroethane 271.2
    2-aminoethanol 317.31
    morpholine-4-carbaldehyde 470.18
    sulfolane 399.01
    2,2,4-trimethylpentane 46.01
    2-methyltetrahydrofuran 466.77
    n-hexyl acetate 211.92
    isooctane 39.64
    2-(2-butoxyethoxy)ethanol 331.48
    sec-butyl acetate 134.94
    tert-butyl acetate 194.24
    decalin 49.93
    glycerin 329.37
    diglyme 513.97
    acrylic acid 292.03
    isopropyl myristate 105.73
    n-butyric acid 313.62
    acetyl acetate 175.47
    di(2-ethylhexyl) phthalate 99.49
    ethyl propionate 167.68
    nitromethane 435.73
    1,2-diethoxyethane 291.4
    benzonitrile 169.99
    trioctyl phosphate 83.65
    1-bromopropane 195.17
    gamma-valerolactone 522.53
    n-decanol 133.56
    triethyl phosphate 101.57
    4-methyl-2-pentanol 137.11
    propionitrile 232.86
    vinylene carbonate 195.43
    1,1,2-trichlorotrifluoroethane 355.99
    DMS 142.26
    cumene 65.32
    2-octanol 135.4
    2-hexanone 238.73
    octyl acetate 144.73
    limonene 179.94
    1,2-dimethoxyethane 399.23
    ethyl orthosilicate 109.86
    tributyl phosphate 90.57
    diacetone alcohol 259.65
    N,N-dimethylaniline 143.98
    acrylonitrile 252.67
    aniline 240.03
    1,3-propanediol 320.48
    bromobenzene 148.81
    dibromomethane 258.25
    1,1,2,2-tetrachloroethane 333.24
    2-methyl-cyclohexyl acetate 173.73
    tetrabutyl urea 136.31
    diisobutyl methanol 126.86
    2-phenylethanol 209.65
    styrene 111.53
    dioctyl adipate 137.4
    dimethyl sulfate 153.92
    ethyl butyrate 215.44
    methyl lactate 183.73
    butyl lactate 157.11
    diethyl carbonate 126.82
    propanediol butyl ether 277.01
    triethyl orthoformate 173.42
    p-tert-butyltoluene 110.61
    methyl 4-tert-butylbenzoate 185.08
    morpholine 568.15
    tert-butylamine 248.57
    n-dodecanol 114.67
    dimethoxymethane 333.0
    ethylene carbonate 180.1
    cyrene 202.97
    2-ethoxyethyl acetate 198.69
    2-ethylhexyl acetate 191.6
    1,2,4-trichlorobenzene 194.1
    4-methylpyridine 288.66
    dibutyl ether 193.07
    2,6-dimethyl-4-heptanol 126.86
    DEF 298.43
    dimethyl isosorbide 314.55
    tetrachloroethylene 257.12
    eugenol 196.09
    triacetin 202.43
    span 80 262.63
    1,4-butanediol 159.71
    1,1-dichloroethane 273.26
    2-methyl-1-pentanol 160.64
    methyl formate 203.37
    2-methyl-1-butanol 220.27
    n-decane 54.2
    butyronitrile 215.74
    3,7-dimethyl-1-octanol 155.88
    1-chlorooctane 119.21
    1-chlorotetradecane 60.38
    n-nonane 58.75
    undecane 41.13
    tert-butylcyclohexane 49.49
    cyclooctane 65.26
    cyclopentanol 371.38
    tetrahydropyran 507.89
    tert-amyl methyl ether 224.07
    2,5,8-trioxanonane 388.75
    1-hexene 166.87
    2-isopropoxyethanol 243.22
    2,2,2-trifluoroethanol 221.02
    methyl butyrate 196.62

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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

Botanical

Name CAS Botanical Proportion
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.27%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.18%