Methyl 2-methylphenyl disulfide

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  • Identifiers

    CAS number
    35379-09-0

    Molecular formula
    C8H10S2

    SMILES
    CC1=CC=CC=C1SSC

  • Odor profile

    Fragrance
    Sulfurous 86.6%
    Meaty 73.54%
    Roasted 70.69%
    Onion 59.9%
    Garlic 52.44%
    Burnt 50.82%
    Coffee 49.44%
    Savory 49.05%
    Alliaceous 46.47%
    Smoky 39.58%

     

    Flavor
    Sulfurous 60.47%
    Onion 60.39%
    Meaty 57.28%
    Garlic 50.58%
    Sulfury 47.47%
    Roasted 45.36%
    Alliaceous 37.44%
    Cabbage 35.97%
    Metallic 34.53%
    Horseradish 33.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.12 (weak acid)

    Molecular weight
    170.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 105.46 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Methyl 2-methylphenyl disulfide
    • Methyl o-tolyl disulfide
    • FEMA No. 4579
    • Disulfide, methyl 2-methylphenyl
    • UNII-01I8N86CKO
    • 35379-09-0
    • 01I8N86CKO
    • DTXSID50188867
    • SCHEMBL3892986
    • DTXCID10111358
    • Q27231428

  • Applications

    Methyl 2-methylphenyl disulfide is used primarily as an odorant and fixative in perfumery and cosmetics, and as a fragrance component in household products and cleaners. It also serves as a chemical intermediate for the synthesis of other organosulfur compounds used in pharmaceutical and specialty chemical manufacture. In industrial manufacturing, it may be evaluated as an intermediate or additive in polymer and coating formulations to introduce aryl-disulfide functionality. It can also function as a precursor in specialty syntheses and may influence scent-release characteristics in consumer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 690.62
    methanol 435.09
    isopropanol 579.3
    water 0.68
    ethyl acetate 2325.8
    n-propanol 626.13
    acetone 3876.7
    n-butanol 605.78
    acetonitrile 1723.16
    DMF 4017.03
    toluene 2579.01
    isobutanol 505.54
    1,4-dioxane 4900.56
    methyl acetate 2356.18
    THF 5576.85
    2-butanone 2685.7
    n-pentanol 424.16
    sec-butanol 543.0
    n-hexane 304.43
    ethylene glycol 159.89
    NMP 3045.21
    cyclohexane 1098.0
    DMSO 2972.77
    n-butyl acetate 2745.38
    n-octanol 643.4
    chloroform 5034.89
    n-propyl acetate 1543.58
    acetic acid 720.78
    dichloromethane 5872.55
    cyclohexanone 5223.96
    propylene glycol 192.38
    isopropyl acetate 1250.72
    DMAc 2186.13
    2-ethoxyethanol 760.08
    isopentanol 483.2
    n-heptane 661.57
    ethyl formate 1583.67
    1,2-dichloroethane 3960.19
    n-hexanol 903.54
    2-methoxyethanol 1157.02
    isobutyl acetate 902.66
    tetrachloromethane 1446.84
    n-pentyl acetate 1237.75
    transcutol 1981.23
    n-heptanol 505.55
    ethylbenzene 985.38
    MIBK 1105.76
    2-propoxyethanol 1277.98
    tert-butanol 741.29
    MTBE 1252.87
    2-butoxyethanol 699.51
    propionic acid 774.57
    o-xylene 1215.29
    formic acid 105.0
    diethyl ether 1865.58
    m-xylene 1362.02
    p-xylene 1129.42
    chlorobenzene 2635.59
    dimethyl carbonate 1056.8
    n-octane 279.5
    formamide 331.86
    cyclopentanone 5367.52
    2-pentanone 2186.72
    anisole 1620.56
    cyclopentyl methyl ether 2477.52
    gamma-butyrolactone 4757.16
    1-methoxy-2-propanol 863.32
    pyridine 3787.44
    3-pentanone 2083.46
    furfural 3378.19
    n-dodecane 185.95
    diethylene glycol 734.43
    diisopropyl ether 661.8
    tert-amyl alcohol 603.04
    acetylacetone 2717.35
    n-hexadecane 223.59
    acetophenone 1393.46
    methyl propionate 1849.19
    isopentyl acetate 1675.32
    trichloroethylene 6630.6
    n-nonanol 536.76
    cyclohexanol 1167.55
    benzyl alcohol 870.03
    2-ethylhexanol 745.45
    isooctanol 403.74
    dipropyl ether 1928.85
    1,2-dichlorobenzene 2145.95
    ethyl lactate 476.1
    propylene carbonate 2376.07
    n-methylformamide 1407.22
    2-pentanol 469.31
    n-pentane 308.16
    1-propoxy-2-propanol 1056.82
    1-methoxy-2-propyl acetate 1637.47
    2-(2-methoxypropoxy) propanol 649.29
    mesitylene 873.98
    ε-caprolactone 3212.46
    p-cymene 779.17
    epichlorohydrin 4394.38
    1,1,1-trichloroethane 4022.2
    2-aminoethanol 241.7
    morpholine-4-carbaldehyde 3414.56
    sulfolane 4266.76
    2,2,4-trimethylpentane 136.56
    2-methyltetrahydrofuran 3500.87
    n-hexyl acetate 1457.98
    isooctane 139.11
    2-(2-butoxyethoxy)ethanol 870.87
    sec-butyl acetate 860.41
    tert-butyl acetate 1332.13
    decalin 360.57
    glycerin 265.28
    diglyme 2115.15
    acrylic acid 657.18
    isopropyl myristate 677.65
    n-butyric acid 1102.86
    acetyl acetate 1521.17
    di(2-ethylhexyl) phthalate 466.08
    ethyl propionate 1245.02
    nitromethane 2224.58
    1,2-diethoxyethane 2024.87
    benzonitrile 1780.61
    trioctyl phosphate 389.68
    1-bromopropane 1976.29
    gamma-valerolactone 5219.97
    n-decanol 430.81
    triethyl phosphate 605.29
    4-methyl-2-pentanol 292.03
    propionitrile 1303.25
    vinylene carbonate 2413.31
    1,1,2-trichlorotrifluoroethane 1625.69
    DMS 1272.07
    cumene 557.9
    2-octanol 463.2
    2-hexanone 1511.53
    octyl acetate 800.9
    limonene 1225.42
    1,2-dimethoxyethane 2255.3
    ethyl orthosilicate 566.09
    tributyl phosphate 473.56
    diacetone alcohol 971.09
    N,N-dimethylaniline 924.99
    acrylonitrile 1628.59
    aniline 1356.07
    1,3-propanediol 439.08
    bromobenzene 3479.15
    dibromomethane 3854.43
    1,1,2,2-tetrachloroethane 4014.2
    2-methyl-cyclohexyl acetate 1029.89
    tetrabutyl urea 703.93
    diisobutyl methanol 504.12
    2-phenylethanol 1033.88
    styrene 1331.93
    dioctyl adipate 777.64
    dimethyl sulfate 1424.8
    ethyl butyrate 1769.23
    methyl lactate 568.57
    butyl lactate 639.56
    diethyl carbonate 1032.34
    propanediol butyl ether 585.68
    triethyl orthoformate 979.16
    p-tert-butyltoluene 723.94
    methyl 4-tert-butylbenzoate 946.54
    morpholine 3559.91
    tert-butylamine 502.47
    n-dodecanol 364.92
    dimethoxymethane 2333.25
    ethylene carbonate 2216.17
    cyrene 831.16
    2-ethoxyethyl acetate 1491.96
    2-ethylhexyl acetate 1585.3
    1,2,4-trichlorobenzene 2106.5
    4-methylpyridine 3485.67
    dibutyl ether 1358.86
    2,6-dimethyl-4-heptanol 504.12
    DEF 2121.73
    dimethyl isosorbide 1638.01
    tetrachloroethylene 2730.21
    eugenol 814.94
    triacetin 1059.01
    span 80 660.73
    1,4-butanediol 228.69
    1,1-dichloroethane 3470.57
    2-methyl-1-pentanol 365.97
    methyl formate 1601.76
    2-methyl-1-butanol 455.25
    n-decane 317.5
    butyronitrile 1379.63
    3,7-dimethyl-1-octanol 543.67
    1-chlorooctane 887.71
    1-chlorotetradecane 389.95
    n-nonane 356.77
    undecane 236.92
    tert-butylcyclohexane 280.87
    cyclooctane 473.18
    cyclopentanol 1241.41
    tetrahydropyran 4241.7
    tert-amyl methyl ether 927.06
    2,5,8-trioxanonane 1320.27
    1-hexene 744.18
    2-isopropoxyethanol 607.87
    2,2,2-trifluoroethanol 333.12
    methyl butyrate 1668.28

    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