Bis(2-methylphenyl) disulfide

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  • Identifiers

    CAS number
    4032-80-8

    Molecular formula
    C14H14S2

    SMILES
    CC1=CC=CC=C1SSC2=CC=CC=C2C

  • Odor profile

    Fragrance
    Sulfurous 83.98%
    Meaty 81.08%
    Roasted 72.04%
    Burnt 60.17%
    Coffee 48.82%
    Savory 46.62%
    Smoky 45.06%
    Onion 42.15%
    Garlic 41.53%
    Beefy 40.47%

     

    Flavor
    Meaty 54.94%
    Sulfurous 50.98%
    Onion 49.41%
    Roasted 43.34%
    Sulfury 43.25%
    Garlic 40.35%
    Metallic 34.01%
    Coffee 33.66%
    Alliaceous 32.5%
    Horseradish 29.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    6.33 (neutral)

    Molecular weight
    246.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    377°C

    Flash point

    • 173.51 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 4032-80-8
    • o-Tolyl disulfide
    • Di-o-tolyl disulfide
    • Disulfide, bis(2-methylphenyl)
    • Bis(2-methylphenyl) disulfide
    • Bis(o-tolyl)disulfide
    • 1-methyl-2-[(2-methylphenyl)disulfanyl]benzene
    • ortho-cresyl disulfide
    • Di-o-tolyl disulphide
    • NSC-158725
    • EINECS 223-715-1
    • NSC 158725
    • AI3-26889
    • DTXSID6063274
    • FEMA NO. 4576
    • NSC158725
    • 030186257W
    • 2,2'-DIMETHYLDIPHENYL DISULFIDE
    • Disulfide, bis(methylphenyl)
    • Bis(methylphenyl) disulphide
    • ditolyl disulfide
    • EINECS 263-295-7
    • UNII-030186257W
    • bis-(o-tolyl)disulfide
    • SCHEMBL57312
    • 61886-58-6
    • BIS(O-TOLYL) DISULFIDE
    • CHEMBL120618
    • DTXCID7039753
    • 1-methyl-2-(o-tolyldisulfanyl)benzene
    • HS-4373
    • NS00022149
    • Q27231557

  • Applications

    Bis(2-methylphenyl) disulfide, CAS 4032-80-8, is primarily considered a fragrance-related material; it is often evaluated as an odorant and potential fixative for perfumery. In cosmetics and personal care, it can serve as a fragrance component. In household products, it may be used as a fragrance additive for cleaners and air fresheners. In industrial manufacturing, it is used as an intermediate for the synthesis of specialty organosulfur compounds and related aryl disulfides. As a chemical building block, it can be employed to prepare other aryl sulfide/disulfide derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.73
    methanol 7.92
    isopropanol 8.14
    water 0.0
    ethyl acetate 266.81
    n-propanol 14.9
    acetone 249.42
    n-butanol 17.1
    acetonitrile 66.01
    DMF 569.66
    toluene 328.06
    isobutanol 11.46
    1,4-dioxane 798.45
    methyl acetate 235.64
    THF 1117.99
    2-butanone 266.73
    n-pentanol 15.86
    sec-butanol 13.47
    n-hexane 8.95
    ethylene glycol 1.76
    NMP 972.33
    cyclohexane 43.66
    DMSO 195.82
    n-butyl acetate 233.24
    n-octanol 10.41
    chloroform 777.05
    n-propyl acetate 155.6
    acetic acid 37.1
    dichloromethane 876.32
    cyclohexanone 712.91
    propylene glycol 3.94
    isopropyl acetate 172.47
    DMAc 662.32
    2-ethoxyethanol 55.38
    isopentanol 19.97
    n-heptane 13.74
    ethyl formate 94.44
    1,2-dichloroethane 701.73
    n-hexanol 23.52
    2-methoxyethanol 76.4
    isobutyl acetate 108.35
    tetrachloromethane 69.94
    n-pentyl acetate 95.67
    transcutol 366.47
    n-heptanol 11.97
    ethylbenzene 118.35
    MIBK 133.88
    2-propoxyethanol 83.45
    tert-butanol 20.02
    MTBE 111.64
    2-butoxyethanol 40.68
    propionic acid 34.25
    o-xylene 144.29
    formic acid 5.51
    diethyl ether 168.44
    m-xylene 125.94
    p-xylene 131.74
    chlorobenzene 434.78
    dimethyl carbonate 169.34
    n-octane 4.37
    formamide 28.68
    cyclopentanone 1062.98
    2-pentanone 224.25
    anisole 395.97
    cyclopentyl methyl ether 429.89
    gamma-butyrolactone 951.03
    1-methoxy-2-propanol 56.69
    pyridine 808.33
    3-pentanone 290.41
    furfural 731.85
    n-dodecane 3.03
    diethylene glycol 33.8
    diisopropyl ether 59.81
    tert-amyl alcohol 26.3
    acetylacetone 480.59
    n-hexadecane 3.99
    acetophenone 307.42
    methyl propionate 230.1
    isopentyl acetate 209.78
    trichloroethylene 1615.69
    n-nonanol 12.73
    cyclohexanol 42.49
    benzyl alcohol 93.38
    2-ethylhexanol 34.75
    isooctanol 13.95
    dipropyl ether 152.85
    1,2-dichlorobenzene 444.22
    ethyl lactate 42.21
    propylene carbonate 403.52
    n-methylformamide 93.07
    2-pentanol 13.8
    n-pentane 6.32
    1-propoxy-2-propanol 74.96
    1-methoxy-2-propyl acetate 342.23
    2-(2-methoxypropoxy) propanol 97.68
    mesitylene 77.87
    ε-caprolactone 471.76
    p-cymene 72.96
    epichlorohydrin 1119.69
    1,1,1-trichloroethane 510.46
    2-aminoethanol 5.92
    morpholine-4-carbaldehyde 860.09
    sulfolane 973.67
    2,2,4-trimethylpentane 7.36
    2-methyltetrahydrofuran 547.9
    n-hexyl acetate 94.9
    isooctane 5.22
    2-(2-butoxyethoxy)ethanol 96.52
    sec-butyl acetate 129.07
    tert-butyl acetate 253.61
    decalin 27.85
    glycerin 8.73
    diglyme 369.45
    acrylic acid 37.91
    isopropyl myristate 62.72
    n-butyric acid 63.93
    acetyl acetate 245.35
    di(2-ethylhexyl) phthalate 62.78
    ethyl propionate 174.86
    nitromethane 268.06
    1,2-diethoxyethane 319.05
    benzonitrile 192.2
    trioctyl phosphate 26.63
    1-bromopropane 215.27
    gamma-valerolactone 1182.57
    n-decanol 10.43
    triethyl phosphate 117.64
    4-methyl-2-pentanol 13.31
    propionitrile 67.31
    vinylene carbonate 386.43
    1,1,2-trichlorotrifluoroethane 336.04
    DMS 258.01
    cumene 62.64
    2-octanol 8.9
    2-hexanone 142.01
    octyl acetate 61.44
    limonene 112.44
    1,2-dimethoxyethane 329.7
    ethyl orthosilicate 107.79
    tributyl phosphate 46.4
    diacetone alcohol 129.51
    N,N-dimethylaniline 199.2
    acrylonitrile 112.01
    aniline 176.74
    1,3-propanediol 12.72
    bromobenzene 599.06
    dibromomethane 455.04
    1,1,2,2-tetrachloroethane 970.5
    2-methyl-cyclohexyl acetate 187.71
    tetrabutyl urea 78.11
    diisobutyl methanol 31.31
    2-phenylethanol 101.54
    styrene 196.41
    dioctyl adipate 121.8
    dimethyl sulfate 331.83
    ethyl butyrate 219.57
    methyl lactate 52.68
    butyl lactate 48.17
    diethyl carbonate 161.31
    propanediol butyl ether 23.57
    triethyl orthoformate 170.8
    p-tert-butyltoluene 76.04
    methyl 4-tert-butylbenzoate 169.01
    morpholine 557.2
    tert-butylamine 14.76
    n-dodecanol 9.35
    dimethoxymethane 334.91
    ethylene carbonate 277.51
    cyrene 169.4
    2-ethoxyethyl acetate 228.59
    2-ethylhexyl acetate 209.32
    1,2,4-trichlorobenzene 549.72
    4-methylpyridine 613.88
    dibutyl ether 75.31
    2,6-dimethyl-4-heptanol 31.31
    DEF 385.84
    dimethyl isosorbide 437.64
    tetrachloroethylene 487.56
    eugenol 121.35
    triacetin 182.18
    span 80 68.13
    1,4-butanediol 4.95
    1,1-dichloroethane 349.96
    2-methyl-1-pentanol 22.95
    methyl formate 103.94
    2-methyl-1-butanol 19.05
    n-decane 4.89
    butyronitrile 66.91
    3,7-dimethyl-1-octanol 22.41
    1-chlorooctane 28.73
    1-chlorotetradecane 14.5
    n-nonane 4.11
    undecane 3.65
    tert-butylcyclohexane 19.29
    cyclooctane 17.58
    cyclopentanol 53.48
    tetrahydropyran 490.3
    tert-amyl methyl ether 109.54
    2,5,8-trioxanonane 256.32
    1-hexene 36.71
    2-isopropoxyethanol 44.4
    2,2,2-trifluoroethanol 22.25
    methyl butyrate 205.89

    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