Bis(mercaptomethyl) sulfide

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  • Identifiers

    CAS number
    7529-06-8

    Molecular formula
    C2H6S3

    SMILES
    C(S)SCS

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 77.26%
    Meaty 65.53%
    Onion 64.07%
    Garlic 60.92%
    Alliaceous 51.9%
    Savory 49.16%
    Roasted 49.03%
    Cooked 44.01%
    Pungent 41.11%
    Burnt 38.33%

     

    Flavor
    Sulfurous 66.53%
    Onion 56.66%
    Garlic 51.62%
    Meaty 48.13%
    Sulfury 44.75%
    Sulfur 35.58%
    Alliaceous 33.57%
    Cabbage 33.17%
    Roasted 31.72%
    Vegetable 27.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.62 (neutral)

    Molecular weight
    126.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    212°C

    Flash point

    • 77.67 ˚C est.

  • Synonyms

    • bis(mercaptomethyl) sulfide
    • Methanethiol, thiobis-
    • Methanethiol, thiodi-
    • 1,3,5-Trithiapentane
    • EB2Z0BQK0B
    • 2-Thiapropane-1,3-dithiol
    • UNII-EB2Z0BQK0B
    • 1,3-DIMERCAPTO-2-THIAPROPANE
    • DTXSID50423841
    • RefChem:199898
    • DTXCID20374679
    • WTSBJMAOQNCZBF-UHFFFAOYSA-N
    • 7529-06-8
    • thiobis-methanethiol
    • Sulfanediyldimethanethiol
    • bis-(mercaptomethyl) sulphide
    • SCHEMBL332124
    • Q27277083
    • 7529-06-8

  • Applications

    Bis(mercaptomethyl) sulfide (CAS 7529-06-8) is a difunctional thiol-containing compound that serves primarily as a crosslinking and chain-extending reagent in polymer and coating systems. In industrial manufacturing and coatings/inks and adhesives sectors, it is used as a reactive thiol crosslinker for UV- or moisture-curing resins, improving chemical resistance and network rigidity. It also functions as an intermediate in the synthesis of sulfur-containing polymers and specialty materials. In electronics and surface chemistry, the two thiol groups enable surface modification and ligation with metal surfaces or nanoparticles, supporting self-assembled monolayers and catalyst/support development. Additionally, due to its difunctionality, it is employed as a building block in the synthesis of other sulfur-containing compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.43
    methanol 139.37
    isopropanol 67.77
    water 1.94
    ethyl acetate 70.09
    n-propanol 87.4
    acetone 152.63
    n-butanol 82.99
    acetonitrile 60.98
    DMF 165.37
    toluene 40.4
    isobutanol 50.26
    1,4-dioxane 237.02
    methyl acetate 70.58
    THF 414.18
    2-butanone 103.26
    n-pentanol 60.37
    sec-butanol 59.89
    n-hexane 17.5
    ethylene glycol 41.64
    NMP 250.52
    cyclohexane 49.74
    DMSO 306.01
    n-butyl acetate 122.74
    n-octanol 48.58
    chloroform 205.25
    n-propyl acetate 67.71
    acetic acid 155.19
    dichloromethane 164.84
    cyclohexanone 229.03
    propylene glycol 37.55
    isopropyl acetate 45.85
    DMAc 109.47
    2-ethoxyethanol 98.61
    isopentanol 51.14
    n-heptane 43.5
    ethyl formate 67.28
    1,2-dichloroethane 117.47
    n-hexanol 90.13
    2-methoxyethanol 158.89
    isobutyl acetate 44.33
    tetrachloromethane 64.15
    n-pentyl acetate 75.34
    transcutol 290.46
    n-heptanol 58.94
    ethylbenzene 20.64
    MIBK 48.16
    2-propoxyethanol 137.54
    tert-butanol 75.66
    MTBE 56.6
    2-butoxyethanol 97.72
    propionic acid 82.22
    o-xylene 29.26
    formic acid 67.12
    diethyl ether 97.5
    m-xylene 26.0
    p-xylene 27.87
    chlorobenzene 77.7
    dimethyl carbonate 26.54
    n-octane 14.98
    formamide 81.75
    cyclopentanone 274.53
    2-pentanone 90.87
    anisole 54.97
    cyclopentyl methyl ether 141.69
    gamma-butyrolactone 253.6
    1-methoxy-2-propanol 101.44
    pyridine 162.19
    3-pentanone 69.58
    furfural 230.6
    n-dodecane 9.59
    diethylene glycol 113.48
    diisopropyl ether 29.35
    tert-amyl alcohol 57.06
    acetylacetone 96.0
    n-hexadecane 10.73
    acetophenone 62.41
    methyl propionate 58.67
    isopentyl acetate 85.47
    trichloroethylene 200.72
    n-nonanol 45.94
    cyclohexanol 98.27
    benzyl alcohol 54.24
    2-ethylhexanol 63.06
    isooctanol 45.73
    dipropyl ether 108.94
    1,2-dichlorobenzene 71.95
    ethyl lactate 36.45
    propylene carbonate 114.52
    n-methylformamide 92.15
    2-pentanol 51.11
    n-pentane 24.84
    1-propoxy-2-propanol 122.94
    1-methoxy-2-propyl acetate 89.3
    2-(2-methoxypropoxy) propanol 82.26
    mesitylene 20.34
    ε-caprolactone 158.75
    p-cymene 34.94
    epichlorohydrin 184.96
    1,1,1-trichloroethane 102.07
    2-aminoethanol 60.7
    morpholine-4-carbaldehyde 214.96
    sulfolane 313.26
    2,2,4-trimethylpentane 9.01
    2-methyltetrahydrofuran 221.23
    n-hexyl acetate 75.82
    isooctane 7.33
    2-(2-butoxyethoxy)ethanol 122.41
    sec-butyl acetate 39.64
    tert-butyl acetate 54.89
    decalin 14.43
    glycerin 62.42
    diglyme 216.26
    acrylic acid 81.62
    isopropyl myristate 41.28
    n-butyric acid 103.63
    acetyl acetate 53.07
    di(2-ethylhexyl) phthalate 42.64
    ethyl propionate 45.41
    nitromethane 157.49
    1,2-diethoxyethane 134.43
    benzonitrile 70.17
    trioctyl phosphate 36.05
    1-bromopropane 76.96
    gamma-valerolactone 273.6
    n-decanol 37.05
    triethyl phosphate 44.01
    4-methyl-2-pentanol 28.52
    propionitrile 56.08
    vinylene carbonate 103.01
    1,1,2-trichlorotrifluoroethane 163.41
    DMS 48.44
    cumene 19.34
    2-octanol 40.28
    2-hexanone 75.4
    octyl acetate 51.31
    limonene 59.58
    1,2-dimethoxyethane 149.82
    ethyl orthosilicate 46.83
    tributyl phosphate 41.6
    diacetone alcohol 70.33
    N,N-dimethylaniline 45.92
    acrylonitrile 64.92
    aniline 67.59
    1,3-propanediol 81.05
    bromobenzene 68.81
    dibromomethane 132.41
    1,1,2,2-tetrachloroethane 167.57
    2-methyl-cyclohexyl acetate 70.01
    tetrabutyl urea 58.67
    diisobutyl methanol 44.71
    2-phenylethanol 72.12
    styrene 28.19
    dioctyl adipate 62.78
    dimethyl sulfate 50.39
    ethyl butyrate 84.46
    methyl lactate 41.86
    butyl lactate 59.74
    diethyl carbonate 48.92
    propanediol butyl ether 73.69
    triethyl orthoformate 70.21
    p-tert-butyltoluene 34.25
    methyl 4-tert-butylbenzoate 74.28
    morpholine 230.67
    tert-butylamine 52.0
    n-dodecanol 31.4
    dimethoxymethane 108.54
    ethylene carbonate 86.94
    cyrene 96.32
    2-ethoxyethyl acetate 88.35
    2-ethylhexyl acetate 77.9
    1,2,4-trichlorobenzene 87.2
    4-methylpyridine 109.37
    dibutyl ether 69.72
    2,6-dimethyl-4-heptanol 44.71
    DEF 91.56
    dimethyl isosorbide 162.32
    tetrachloroethylene 141.24
    eugenol 80.49
    triacetin 73.8
    span 80 96.45
    1,4-butanediol 38.24
    1,1-dichloroethane 89.68
    2-methyl-1-pentanol 41.53
    methyl formate 68.14
    2-methyl-1-butanol 48.83
    n-decane 15.7
    butyronitrile 66.22
    3,7-dimethyl-1-octanol 45.56
    1-chlorooctane 38.2
    1-chlorotetradecane 19.94
    n-nonane 16.17
    undecane 11.74
    tert-butylcyclohexane 13.01
    cyclooctane 17.26
    cyclopentanol 124.76
    tetrahydropyran 234.64
    tert-amyl methyl ether 51.55
    2,5,8-trioxanonane 171.32
    1-hexene 37.33
    2-isopropoxyethanol 67.7
    2,2,2-trifluoroethanol 60.07
    methyl butyrate 63.63

    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