Methyl phenyl disulfide

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  • Identifiers

    CAS number
    14173-25-2

    Molecular formula
    C7H8S2

    SMILES
    CSSC1=CC=CC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 88.74%
    Onion 65.67%
    Garlic 63.43%
    Meaty 61.78%
    Roasted 61.43%
    Alliaceous 58.33%
    Burnt 53.37%
    Coffee 51.93%
    Savory 48.8%
    Pungent 47.48%

     

    Flavor
    Sulfurous 52.39%
    Onion 50.89%
    Garlic 47.43%
    Meaty 43.57%
    Horseradish 37.8%
    Alliaceous 37.35%
    Green 36.55%
    Sulfury 36.47%
    Pungent 35.81%
    Roasted 34.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.27 (weak acid)

    Molecular weight
    156.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 62.00 to 65.00 °C. @ 2.00 mm Hg

    Flash point

    • 100.01 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in alcohol

  • Synonyms

    • Methyl phenyl disulfide
    • Disulfide, methyl phenyl
    • 14173-25-2
    • (methyldisulfanyl)benzene
    • Methyl phenyl disulphide
    • Phenyl methyl disulfide
    • methyldisulfanyl-benzene
    • UNII-CY4EJP36CL
    • CY4EJP36CL
    • EINECS 238-020-9
    • NSC 87076
    • NSC-87076
    • DTXSID6065719
    • FEMA NO. 3872
    • FEMA 3872
    • NSC677545
    • METHYL PHENYL DISULFIDE [FHFI]
    • NSC-677545
    • (Methyldisulphanyl)benzene
    • SCHEMBL576033
    • CHEMBL118504
    • DTXCID7034599
    • NSC87076
    • AKOS015899680
    • DB-042582
    • NS00021647
    • Q27275886

  • Applications

    Chemical name: Methyl phenyl disulfide; CAS number: 14173-25-2. It is an organic disulfide compound used as an odorant/fragrance ingredient and may function as a fixative in perfumery and cosmetics; it serves as a useful intermediate in organic synthesis for preparing aryl thioethers via disulfide exchange; it can be employed as a sulfur-containing crosslinking source or building block in specialty polymers and coatings under controlled formulations; it is used in research as a reagent for thiol-disulfide exchange and related sulfur-centered radical chemistry; occasionally used as a source of aryl thiyl radicals in laboratory syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 967.64
    methanol 588.58
    isopropanol 718.28
    water 0.47
    ethyl acetate 3264.9
    n-propanol 790.35
    acetone 4764.36
    n-butanol 773.96
    acetonitrile 2298.75
    DMF 4320.03
    toluene 3349.35
    isobutanol 606.05
    1,4-dioxane 5713.2
    methyl acetate 2726.78
    THF 6766.03
    2-butanone 3269.6
    n-pentanol 516.12
    sec-butanol 676.37
    n-hexane 470.43
    ethylene glycol 175.93
    NMP 3528.54
    cyclohexane 1850.59
    DMSO 3983.86
    n-butyl acetate 3556.89
    n-octanol 766.98
    chloroform 6462.18
    n-propyl acetate 1995.74
    acetic acid 1063.07
    dichloromethane 7603.56
    cyclohexanone 6969.7
    propylene glycol 209.01
    isopropyl acetate 1610.85
    DMAc 2401.96
    2-ethoxyethanol 839.4
    isopentanol 576.03
    n-heptane 1161.38
    ethyl formate 1932.95
    1,2-dichloroethane 4961.08
    n-hexanol 1105.72
    2-methoxyethanol 1374.99
    isobutyl acetate 1053.37
    tetrachloromethane 1624.67
    n-pentyl acetate 1536.69
    transcutol 2996.78
    n-heptanol 542.44
    ethylbenzene 1177.78
    MIBK 1408.73
    2-propoxyethanol 1449.9
    tert-butanol 871.91
    MTBE 1439.47
    2-butoxyethanol 775.34
    propionic acid 970.01
    o-xylene 1431.73
    formic acid 127.67
    diethyl ether 2476.85
    m-xylene 1636.76
    p-xylene 1310.19
    chlorobenzene 3373.83
    dimethyl carbonate 1242.48
    n-octane 412.7
    formamide 426.44
    cyclopentanone 6778.99
    2-pentanone 2835.2
    anisole 1937.7
    cyclopentyl methyl ether 3325.35
    gamma-butyrolactone 5690.5
    1-methoxy-2-propanol 1020.02
    pyridine 5251.31
    3-pentanone 2621.44
    furfural 4059.3
    n-dodecane 252.51
    diethylene glycol 781.14
    diisopropyl ether 852.96
    tert-amyl alcohol 699.49
    acetylacetone 3657.57
    n-hexadecane 304.42
    acetophenone 1724.96
    methyl propionate 2348.02
    isopentyl acetate 2081.16
    trichloroethylene 8108.26
    n-nonanol 646.05
    cyclohexanol 1591.5
    benzyl alcohol 979.2
    2-ethylhexanol 944.73
    isooctanol 435.88
    dipropyl ether 2832.14
    1,2-dichlorobenzene 2597.49
    ethyl lactate 537.88
    propylene carbonate 2859.22
    n-methylformamide 1568.37
    2-pentanol 606.05
    n-pentane 474.4
    1-propoxy-2-propanol 1333.84
    1-methoxy-2-propyl acetate 2064.67
    2-(2-methoxypropoxy) propanol 782.29
    mesitylene 1066.79
    ε-caprolactone 4210.05
    p-cymene 1038.87
    epichlorohydrin 5128.65
    1,1,1-trichloroethane 4885.26
    2-aminoethanol 273.86
    morpholine-4-carbaldehyde 4163.09
    sulfolane 5080.36
    2,2,4-trimethylpentane 160.0
    2-methyltetrahydrofuran 4560.26
    n-hexyl acetate 1871.7
    isooctane 177.68
    2-(2-butoxyethoxy)ethanol 1104.85
    sec-butyl acetate 1057.17
    tert-butyl acetate 1675.32
    decalin 481.54
    glycerin 281.19
    diglyme 2761.17
    acrylic acid 831.41
    isopropyl myristate 864.63
    n-butyric acid 1512.15
    acetyl acetate 1974.39
    di(2-ethylhexyl) phthalate 538.76
    ethyl propionate 1594.1
    nitromethane 2960.16
    1,2-diethoxyethane 2778.68
    benzonitrile 2185.44
    trioctyl phosphate 449.44
    1-bromopropane 2713.66
    gamma-valerolactone 6139.01
    n-decanol 512.06
    triethyl phosphate 697.16
    4-methyl-2-pentanol 336.67
    propionitrile 1665.67
    vinylene carbonate 2936.7
    1,1,2-trichlorotrifluoroethane 1905.03
    DMS 1488.95
    cumene 630.88
    2-octanol 502.27
    2-hexanone 1864.94
    octyl acetate 978.9
    limonene 1720.62
    1,2-dimethoxyethane 2717.6
    ethyl orthosilicate 675.73
    tributyl phosphate 587.03
    diacetone alcohol 1191.51
    N,N-dimethylaniline 1101.71
    acrylonitrile 2082.76
    aniline 1702.15
    1,3-propanediol 500.79
    bromobenzene 4441.48
    dibromomethane 5207.1
    1,1,2,2-tetrachloroethane 4776.15
    2-methyl-cyclohexyl acetate 1291.23
    tetrabutyl urea 901.78
    diisobutyl methanol 639.09
    2-phenylethanol 1194.33
    styrene 1684.18
    dioctyl adipate 1037.77
    dimethyl sulfate 1532.25
    ethyl butyrate 2444.21
    methyl lactate 648.27
    butyl lactate 757.18
    diethyl carbonate 1315.25
    propanediol butyl ether 695.71
    triethyl orthoformate 1301.84
    p-tert-butyltoluene 914.58
    methyl 4-tert-butylbenzoate 1113.27
    morpholine 4515.86
    tert-butylamine 609.61
    n-dodecanol 444.69
    dimethoxymethane 2866.58
    ethylene carbonate 2736.2
    cyrene 933.25
    2-ethoxyethyl acetate 1857.22
    2-ethylhexyl acetate 1958.68
    1,2,4-trichlorobenzene 2475.21
    4-methylpyridine 4422.11
    dibutyl ether 2007.81
    2,6-dimethyl-4-heptanol 639.09
    DEF 2875.82
    dimethyl isosorbide 1976.28
    tetrachloroethylene 3221.87
    eugenol 943.12
    triacetin 1325.38
    span 80 829.73
    1,4-butanediol 239.18
    1,1-dichloroethane 4328.27
    2-methyl-1-pentanol 420.95
    methyl formate 1711.69
    2-methyl-1-butanol 554.74
    n-decane 449.15
    butyronitrile 1874.22
    3,7-dimethyl-1-octanol 678.61
    1-chlorooctane 1212.05
    1-chlorotetradecane 508.09
    n-nonane 537.36
    undecane 322.91
    tert-butylcyclohexane 340.98
    cyclooctane 747.43
    cyclopentanol 1585.29
    tetrahydropyran 5729.02
    tert-amyl methyl ether 1065.93
    2,5,8-trioxanonane 1747.64
    1-hexene 1044.26
    2-isopropoxyethanol 659.96
    2,2,2-trifluoroethanol 378.06
    methyl butyrate 2154.83

    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