S-Methyl hexanethioate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2432-77-1

    Molecular formula
    C7H14OS

    SMILES
    CCCCCC(=O)SC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 83.08%
    Green 71.35%
    Cheesy 66.56%
    Tropical 66.48%
    Sulfurous 55.6%
    Vegetable 55.57%
    Dairy 40.27%
    Pineapple 37.11%
    Cabbage 36.58%
    Sweet 36.35%

     

    Flavor
    Green 60.62%
    Fruity 59.35%
    Sulfury 44.17%
    Tropical 41.46%
    Cheese 41.36%
    Sulfurous 34.48%
    Vegetable 34.11%
    Tomato 33.44%
    Onion 29.61%
    Mushroom 28.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.35 (weak base)

    Molecular weight
    146.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 120.00 to 122.00 °C. @ 0.00 mm Hg

    Flash point

    • 68.17 ˚C est.

    Solubility expt.

    • soluble in oil and alcohol

  • Synonyms

    • S-Methyl hexanethioate
    • S-Methyl thiohexanoate
    • 2432-77-1
    • Methanethiol caproate
    • Hexanethioic acid, S-methyl ester
    • methyl thiohexanoate
    • UNII-MC7G128ACI
    • MC7G128ACI
    • EINECS 219-410-8
    • DTXSID1062417
    • FEMA NO. 3862
    • S-METHYL HEXANETHIOATE [FHFI]
    • 1-(METHYLSULFANYL)HEXAN-1-ONE
    • S-methyl thiocaproate
    • S-Methyl hexanethioate #
    • SCHEMBL3506754
    • DTXCID6037061
    • methyl thiohexanoate, AldrichCPR
    • FEMA 3862
    • CHEBI:173386
    • AKOS006277831
    • FM35693
    • AS-86439
    • DB-221832
    • NS00021918
    • Q27283845
    • 219-410-8
    • QRL

  • Applications

    Applications of S-Methyl hexanethioate primarily include functioning as a fragrance/odorant component in perfumes and consumer cleaning products, and as a fragrance ingredient in cosmetics and personal care formulations. In industrial manufacturing, it is often used as a synthetic intermediate for the preparation of sulfur-containing esters and related thioesters, providing a versatile building block for specialty chemicals. It may also be evaluated as a precursor in chemical research and development workflows, depending on formulation objectives and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3655.88
    methanol 3664.17
    isopropanol 2888.61
    water 1.19
    ethyl acetate 2279.47
    n-propanol 2811.42
    acetone 3999.78
    n-butanol 2410.98
    acetonitrile 2806.85
    DMF 2866.84
    toluene 1190.6
    isobutanol 1899.84
    1,4-dioxane 3751.96
    methyl acetate 1912.29
    THF 4011.05
    2-butanone 2566.64
    n-pentanol 1708.83
    sec-butanol 2294.73
    n-hexane 533.71
    ethylene glycol 374.17
    NMP 2262.95
    cyclohexane 970.67
    DMSO 2615.89
    n-butyl acetate 2689.02
    n-octanol 835.83
    chloroform 5977.36
    n-propyl acetate 1769.16
    acetic acid 2953.68
    dichloromethane 4265.91
    cyclohexanone 4230.07
    propylene glycol 580.46
    isopropyl acetate 1281.13
    DMAc 1501.76
    2-ethoxyethanol 1619.32
    isopentanol 1969.61
    n-heptane 340.51
    ethyl formate 1613.47
    1,2-dichloroethane 2579.42
    n-hexanol 2082.45
    2-methoxyethanol 2470.09
    isobutyl acetate 940.02
    tetrachloromethane 1182.63
    n-pentyl acetate 1418.19
    transcutol 4941.54
    n-heptanol 852.02
    ethylbenzene 689.27
    MIBK 1058.04
    2-propoxyethanol 2163.42
    tert-butanol 2739.91
    MTBE 2174.76
    2-butoxyethanol 1275.65
    propionic acid 1900.23
    o-xylene 631.19
    formic acid 631.8
    diethyl ether 2514.2
    m-xylene 645.29
    p-xylene 924.78
    chlorobenzene 1914.51
    dimethyl carbonate 345.95
    n-octane 130.08
    formamide 925.14
    cyclopentanone 3357.18
    2-pentanone 2183.4
    anisole 1142.54
    cyclopentyl methyl ether 1954.0
    gamma-butyrolactone 3044.56
    1-methoxy-2-propanol 1704.48
    pyridine 3887.48
    3-pentanone 1262.32
    furfural 2947.49
    n-dodecane 77.99
    diethylene glycol 1172.42
    diisopropyl ether 588.71
    tert-amyl alcohol 1952.93
    acetylacetone 1646.52
    n-hexadecane 91.64
    acetophenone 1093.11
    methyl propionate 1165.66
    isopentyl acetate 1945.99
    trichloroethylene 5149.43
    n-nonanol 669.23
    cyclohexanol 2440.03
    benzyl alcohol 1074.74
    2-ethylhexanol 1185.19
    isooctanol 657.92
    dipropyl ether 1255.49
    1,2-dichlorobenzene 1486.72
    ethyl lactate 450.48
    propylene carbonate 1787.84
    n-methylformamide 1677.49
    2-pentanol 1579.83
    n-pentane 398.71
    1-propoxy-2-propanol 1729.34
    1-methoxy-2-propyl acetate 1328.32
    2-(2-methoxypropoxy) propanol 873.29
    mesitylene 418.62
    ε-caprolactone 3054.89
    p-cymene 445.08
    epichlorohydrin 3129.67
    1,1,1-trichloroethane 3252.86
    2-aminoethanol 964.82
    morpholine-4-carbaldehyde 2466.76
    sulfolane 2683.75
    2,2,4-trimethylpentane 144.37
    2-methyltetrahydrofuran 3512.46
    n-hexyl acetate 1616.74
    isooctane 120.75
    2-(2-butoxyethoxy)ethanol 1393.27
    sec-butyl acetate 1008.05
    tert-butyl acetate 1198.39
    decalin 269.22
    glycerin 691.84
    diglyme 2488.56
    acrylic acid 1470.65
    isopropyl myristate 492.18
    n-butyric acid 3158.29
    acetyl acetate 1125.16
    di(2-ethylhexyl) phthalate 430.48
    ethyl propionate 1021.26
    nitromethane 3496.57
    1,2-diethoxyethane 2137.83
    benzonitrile 2132.72
    trioctyl phosphate 324.73
    1-bromopropane 2060.88
    gamma-valerolactone 3772.78
    n-decanol 442.24
    triethyl phosphate 410.17
    4-methyl-2-pentanol 720.37
    propionitrile 2173.75
    vinylene carbonate 1739.72
    1,1,2-trichlorotrifluoroethane 2058.94
    DMS 807.98
    cumene 406.86
    2-octanol 657.09
    2-hexanone 1860.69
    octyl acetate 636.65
    limonene 792.99
    1,2-dimethoxyethane 2759.63
    ethyl orthosilicate 437.5
    tributyl phosphate 439.13
    diacetone alcohol 1117.95
    N,N-dimethylaniline 656.3
    acrylonitrile 2312.61
    aniline 1558.0
    1,3-propanediol 1479.14
    bromobenzene 2013.7
    dibromomethane 3220.08
    1,1,2,2-tetrachloroethane 3974.47
    2-methyl-cyclohexyl acetate 889.91
    tetrabutyl urea 542.41
    diisobutyl methanol 594.26
    2-phenylethanol 1186.12
    styrene 1014.36
    dioctyl adipate 659.16
    dimethyl sulfate 507.8
    ethyl butyrate 1321.31
    methyl lactate 496.11
    butyl lactate 843.13
    diethyl carbonate 749.77
    propanediol butyl ether 1124.34
    triethyl orthoformate 833.24
    p-tert-butyltoluene 408.84
    methyl 4-tert-butylbenzoate 759.04
    morpholine 4538.27
    tert-butylamine 1975.55
    n-dodecanol 317.98
    dimethoxymethane 1200.24
    ethylene carbonate 1512.43
    cyrene 694.79
    2-ethoxyethyl acetate 1431.51
    2-ethylhexyl acetate 1461.62
    1,2,4-trichlorobenzene 1641.1
    4-methylpyridine 3642.28
    dibutyl ether 1289.98
    2,6-dimethyl-4-heptanol 594.26
    DEF 1985.3
    dimethyl isosorbide 1354.46
    tetrachloroethylene 2991.59
    eugenol 831.5
    triacetin 1059.75
    span 80 1013.52
    1,4-butanediol 591.1
    1,1-dichloroethane 3354.03
    2-methyl-1-pentanol 1343.51
    methyl formate 1120.58
    2-methyl-1-butanol 1699.83
    n-decane 159.16
    butyronitrile 2961.3
    3,7-dimethyl-1-octanol 773.97
    1-chlorooctane 632.76
    1-chlorotetradecane 196.55
    n-nonane 173.12
    undecane 105.13
    tert-butylcyclohexane 225.8
    cyclooctane 215.04
    cyclopentanol 2148.39
    tetrahydropyran 4635.79
    tert-amyl methyl ether 1192.32
    2,5,8-trioxanonane 1424.03
    1-hexene 1669.68
    2-isopropoxyethanol 1135.8
    2,2,2-trifluoroethanol 634.62
    methyl butyrate 1807.99

    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