Amyl methyl disulfide

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  • Identifiers

    CAS number
    72437-68-4

    Molecular formula
    C6H14S2

    SMILES
    CCCCCSSC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 83.56%
    Onion 77.49%
    Green 75.26%
    Alliaceous 73.88%
    Garlic 68.24%
    Vegetable 66.86%
    Savory 56.21%
    Meaty 50.58%
    Cooked 46.21%
    Roasted 42.4%

     

    Flavor
    Onion 67.64%
    Sulfurous 63.47%
    Garlic 55.94%
    Green 48.12%
    Sulfury 38.34%
    Alliaceous 34.47%
    Metallic 31.14%
    Cabbage 29.74%
    Meaty 28.98%
    Radish 28.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.43 (neutral)

    Molecular weight
    150.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 198.00 to 202.00 °C. @ 760.00 mm Hg

    Flash point

    • 74.22 ˚C est.

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Amyl methyl disulfide
    • Methyl pentyl disulfide
    • 72437-68-4
    • 1-(Methyldisulfanyl)pentane
    • 2,3-Dithiaoctane
    • Disulfide, methyl pentyl
    • Disulfide, methylpentyl
    • Pentyl methyl disulfide
    • 1-methyldisulfanylpentane
    • 1-Methyldisulfanyl-pentane
    • FEMA No. 4025
    • Methyl n-pentyl disulphide
    • ES6A12WT0E
    • Amyl methyl disulfide [FIFH]
    • Methyl n-amyl disulfide
    • DTXSID50222735
    • AMYL METHYL DISULFIDE [FHFI]
    • Amyl methyl disulfide (FIFH)
    • UNII-ES6A12WT0E
    • METHYL PENTYL DISULPHIDE
    • Methylpentyl-disulfid
    • 1-(methyldisulanyl)pentane
    • Methyl pentyl disulfide, 9CI
    • 1-(Methyldisulfanyl)pentane #
    • SCHEMBL3379235
    • SCHEMBL9381139
    • C6H14S2
    • DTXCID80145226
    • CHEBI:167086
    • VDJXDNLYBDHPHP-UHFFFAOYSA-N
    • AKOS006291300
    • NS00125927
    • Q1925595
    • 801-499-5

  • Applications

    Amyl methyl disulfide, CAS 72437-68-4, is primarily used as an odorant and fragrance ingredient in the fragrance and perfumery industry, and it also serves as an intermediate in the synthesis of sulfur-containing compounds for industrial applications. In cosmetics and personal care, it may be incorporated as a fragrance component. In household and cleaning products, it can be used as a scent additive to impart a characteristic odor. In industrial manufacturing, the compound is commonly employed as an intermediate for the preparation of sulfur-containing compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2751.92
    methanol 1557.68
    isopropanol 2366.09
    water 0.11
    ethyl acetate 5436.13
    n-propanol 2688.84
    acetone 7458.67
    n-butanol 3041.17
    acetonitrile 3704.67
    DMF 2983.14
    toluene 4591.25
    isobutanol 1885.08
    1,4-dioxane 9417.48
    methyl acetate 3709.59
    THF 13366.64
    2-butanone 5320.64
    n-pentanol 1835.28
    sec-butanol 2334.05
    n-hexane 1734.68
    ethylene glycol 203.28
    NMP 3034.62
    cyclohexane 5938.76
    DMSO 4565.51
    n-butyl acetate 7702.34
    n-octanol 1218.17
    chloroform 9779.92
    n-propyl acetate 3285.64
    acetic acid 1985.94
    dichloromethane 8276.93
    cyclohexanone 9667.72
    propylene glycol 424.97
    isopropyl acetate 2935.83
    DMAc 2004.86
    2-ethoxyethanol 1884.24
    isopentanol 2294.17
    n-heptane 2851.93
    ethyl formate 2323.7
    1,2-dichloroethane 6157.42
    n-hexanol 3435.17
    2-methoxyethanol 2717.7
    isobutyl acetate 1740.49
    tetrachloromethane 2592.33
    n-pentyl acetate 2484.05
    transcutol 6765.87
    n-heptanol 1270.55
    ethylbenzene 1584.59
    MIBK 2283.73
    2-propoxyethanol 3454.32
    tert-butanol 2881.51
    MTBE 4293.33
    2-butoxyethanol 1704.87
    propionic acid 1800.8
    o-xylene 1823.51
    formic acid 214.09
    diethyl ether 7148.68
    m-xylene 2008.56
    p-xylene 1856.31
    chlorobenzene 4314.86
    dimethyl carbonate 706.93
    n-octane 663.38
    formamide 429.94
    cyclopentanone 7875.17
    2-pentanone 5181.18
    anisole 2247.74
    cyclopentyl methyl ether 6677.56
    gamma-butyrolactone 5618.12
    1-methoxy-2-propanol 2176.39
    pyridine 8564.21
    3-pentanone 3715.52
    furfural 4502.49
    n-dodecane 260.08
    diethylene glycol 1249.93
    diisopropyl ether 1990.42
    tert-amyl alcohol 2289.65
    acetylacetone 3884.97
    n-hexadecane 320.95
    acetophenone 1735.92
    methyl propionate 2688.12
    isopentyl acetate 4635.1
    trichloroethylene 9328.14
    n-nonanol 1053.39
    cyclohexanol 4045.14
    benzyl alcohol 1410.09
    2-ethylhexanol 2709.18
    isooctanol 992.89
    dipropyl ether 6721.31
    1,2-dichlorobenzene 2841.65
    ethyl lactate 659.98
    propylene carbonate 3158.36
    n-methylformamide 1335.9
    2-pentanol 2074.68
    n-pentane 1626.15
    1-propoxy-2-propanol 3509.73
    1-methoxy-2-propyl acetate 3317.67
    2-(2-methoxypropoxy) propanol 1011.78
    mesitylene 1239.37
    ε-caprolactone 6135.33
    p-cymene 1450.03
    epichlorohydrin 6358.84
    1,1,1-trichloroethane 7373.87
    2-aminoethanol 594.54
    morpholine-4-carbaldehyde 3684.92
    sulfolane 4875.29
    2,2,4-trimethylpentane 492.35
    2-methyltetrahydrofuran 10706.16
    n-hexyl acetate 2502.48
    isooctane 422.96
    2-(2-butoxyethoxy)ethanol 1748.76
    sec-butyl acetate 1926.63
    tert-butyl acetate 2852.93
    decalin 962.23
    glycerin 471.28
    diglyme 4194.46
    acrylic acid 1183.88
    isopropyl myristate 952.56
    n-butyric acid 3899.63
    acetyl acetate 2432.1
    di(2-ethylhexyl) phthalate 535.95
    ethyl propionate 2286.71
    nitromethane 3216.09
    1,2-diethoxyethane 6033.45
    benzonitrile 3034.31
    trioctyl phosphate 477.76
    1-bromopropane 6028.1
    gamma-valerolactone 7384.16
    n-decanol 727.37
    triethyl phosphate 1003.22
    4-methyl-2-pentanol 1026.36
    propionitrile 3346.69
    vinylene carbonate 2603.53
    1,1,2-trichlorotrifluoroethane 2921.08
    DMS 1219.93
    cumene 767.41
    2-octanol 888.0
    2-hexanone 3327.11
    octyl acetate 1106.39
    limonene 3185.39
    1,2-dimethoxyethane 5015.32
    ethyl orthosilicate 1132.46
    tributyl phosphate 696.74
    diacetone alcohol 1882.37
    N,N-dimethylaniline 1137.32
    acrylonitrile 2891.13
    aniline 3040.52
    1,3-propanediol 1184.11
    bromobenzene 5152.23
    dibromomethane 7036.48
    1,1,2,2-tetrachloroethane 7069.27
    2-methyl-cyclohexyl acetate 1999.77
    tetrabutyl urea 935.97
    diisobutyl methanol 1557.2
    2-phenylethanol 1905.3
    styrene 2462.47
    dioctyl adipate 1105.21
    dimethyl sulfate 863.83
    ethyl butyrate 4378.75
    methyl lactate 670.75
    butyl lactate 1180.05
    diethyl carbonate 2014.04
    propanediol butyl ether 1027.27
    triethyl orthoformate 2732.88
    p-tert-butyltoluene 1356.5
    methyl 4-tert-butylbenzoate 1027.64
    morpholine 9511.65
    tert-butylamine 2395.02
    n-dodecanol 545.59
    dimethoxymethane 2780.7
    ethylene carbonate 2738.41
    cyrene 848.14
    2-ethoxyethyl acetate 2618.54
    2-ethylhexyl acetate 3998.78
    1,2,4-trichlorobenzene 2753.84
    4-methylpyridine 6636.04
    dibutyl ether 3754.39
    2,6-dimethyl-4-heptanol 1557.2
    DEF 3628.76
    dimethyl isosorbide 2131.75
    tetrachloroethylene 4833.98
    eugenol 875.97
    triacetin 1474.12
    span 80 1308.95
    1,4-butanediol 426.7
    1,1-dichloroethane 6861.86
    2-methyl-1-pentanol 1401.64
    methyl formate 1074.24
    2-methyl-1-butanol 1977.67
    n-decane 598.47
    butyronitrile 4810.92
    3,7-dimethyl-1-octanol 1341.11
    1-chlorooctane 1508.71
    1-chlorotetradecane 501.73
    n-nonane 730.63
    undecane 372.71
    tert-butylcyclohexane 679.15
    cyclooctane 1642.9
    cyclopentanol 3578.56
    tetrahydropyran 14877.5
    tert-amyl methyl ether 2735.37
    2,5,8-trioxanonane 2214.59
    1-hexene 3805.95
    2-isopropoxyethanol 1329.83
    2,2,2-trifluoroethanol 446.93
    methyl butyrate 3298.52

    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