3-(Methylsulfanyl)heptan-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    64549-15-1

    Molecular formula
    C8H16OS

    SMILES
    CCCC(=O)C(CC)SC

  • Odor profile

    Fragrance
    Green 75.46%
    Herbal 60.27%
    Vegetable 53.73%
    Grapefruit 48.83%
    Fruity 40.49%
    Sweet 40.05%
    Sulfurous 39.07%
    Spicy 37.34%
    Floral 36.32%
    Earthy 36.21%

     

    Flavor
    Onion 39.24%
    Sulfury 37.54%
    Green 37.23%
    Sulfurous 36.42%
    Fruity 33.71%
    Tropical 30.7%
    Cooked 29.6%
    Roasted 28.2%
    Cabbage 28.08%
    Tomato 27.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.22 (neutral)

    Molecular weight
    160.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point

    • 77.59 ˚C est.

  • Synonyms

    • 64549-15-1
    • 3-(Methylsulfanyl)heptan-4-one
    • SCHEMBL9797377
    • DTXSID10622974

  • Applications

    3-(Methylsulfanyl)heptan-4-one (CAS 64549-15-1) is used primarily as an odorant and fragrance ingredient with a sulfur-containing note; in perfumery it can serve as a fragrance component that contributes warm, sulfurous nuances and may act as a fixative or blending aid in complex formulas. In cosmetics and personal care, it may be incorporated to impart a specific aroma profile; in household products such as air fresheners and cleaners, it can serve as a fragrance additive to enhance consumer perception. In industrial manufacturing, it may function as an intermediate for the synthesis of other fragrance materials or related chemicals, depending on formulation goals and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3859.62
    methanol 4249.16
    isopropanol 3138.55
    water 3.59
    ethyl acetate 2516.44
    n-propanol 3072.32
    acetone 5122.78
    n-butanol 2673.74
    acetonitrile 5061.64
    DMF 4556.37
    toluene 2331.04
    isobutanol 2292.45
    1,4-dioxane 5218.07
    methyl acetate 2675.89
    THF 6144.01
    2-butanone 3500.05
    n-pentanol 1777.35
    sec-butanol 2581.4
    n-hexane 739.1
    ethylene glycol 529.65
    NMP 4717.81
    cyclohexane 2037.7
    DMSO 4219.32
    n-butyl acetate 2932.35
    n-octanol 1567.57
    chloroform 12789.28
    n-propyl acetate 2061.89
    acetic acid 3551.59
    dichloromethane 11263.6
    cyclohexanone 8100.58
    propylene glycol 807.63
    isopropyl acetate 1453.71
    DMAc 2504.85
    2-ethoxyethanol 1668.99
    isopentanol 1947.2
    n-heptane 686.97
    ethyl formate 2588.67
    1,2-dichloroethane 5679.08
    n-hexanol 2301.03
    2-methoxyethanol 2742.5
    isobutyl acetate 1181.75
    tetrachloromethane 2421.41
    n-pentyl acetate 2027.18
    transcutol 4280.08
    n-heptanol 1162.41
    ethylbenzene 1124.45
    MIBK 1375.94
    2-propoxyethanol 2305.23
    tert-butanol 2726.92
    MTBE 2158.73
    2-butoxyethanol 1429.44
    propionic acid 2781.68
    o-xylene 1158.67
    formic acid 854.37
    diethyl ether 2611.34
    m-xylene 1232.26
    p-xylene 1546.43
    chlorobenzene 4484.69
    dimethyl carbonate 689.27
    n-octane 297.46
    formamide 1354.3
    cyclopentanone 6292.09
    2-pentanone 2645.96
    anisole 1780.72
    cyclopentyl methyl ether 2914.55
    gamma-butyrolactone 6466.76
    1-methoxy-2-propanol 1943.54
    pyridine 7264.41
    3-pentanone 1850.65
    furfural 5593.29
    n-dodecane 202.13
    diethylene glycol 1392.6
    diisopropyl ether 733.31
    tert-amyl alcohol 2111.75
    acetylacetone 2337.13
    n-hexadecane 234.19
    acetophenone 1870.63
    methyl propionate 1755.4
    isopentyl acetate 2276.82
    trichloroethylene 10787.71
    n-nonanol 1242.05
    cyclohexanol 3885.9
    benzyl alcohol 1712.07
    2-ethylhexanol 1404.44
    isooctanol 920.44
    dipropyl ether 1631.39
    1,2-dichlorobenzene 3403.08
    ethyl lactate 717.25
    propylene carbonate 3587.44
    n-methylformamide 2867.35
    2-pentanol 1701.16
    n-pentane 630.21
    1-propoxy-2-propanol 1873.52
    1-methoxy-2-propyl acetate 1646.85
    2-(2-methoxypropoxy) propanol 1044.1
    mesitylene 789.51
    ε-caprolactone 5336.92
    p-cymene 841.89
    epichlorohydrin 5889.57
    1,1,1-trichloroethane 6088.73
    2-aminoethanol 1141.25
    morpholine-4-carbaldehyde 4206.59
    sulfolane 6406.84
    2,2,4-trimethylpentane 219.48
    2-methyltetrahydrofuran 5320.45
    n-hexyl acetate 2708.0
    isooctane 199.65
    2-(2-butoxyethoxy)ethanol 1597.23
    sec-butyl acetate 1158.08
    tert-butyl acetate 1468.84
    decalin 491.46
    glycerin 829.95
    diglyme 3263.59
    acrylic acid 2376.69
    isopropyl myristate 958.95
    n-butyric acid 3583.81
    acetyl acetate 1508.47
    di(2-ethylhexyl) phthalate 689.66
    ethyl propionate 1376.53
    nitromethane 5419.05
    1,2-diethoxyethane 2243.57
    benzonitrile 4069.61
    trioctyl phosphate 612.3
    1-bromopropane 3650.89
    gamma-valerolactone 6957.15
    n-decanol 810.57
    triethyl phosphate 657.58
    4-methyl-2-pentanol 812.37
    propionitrile 3591.21
    vinylene carbonate 3742.11
    1,1,2-trichlorotrifluoroethane 3392.32
    DMS 1309.88
    cumene 658.76
    2-octanol 1096.59
    2-hexanone 2212.28
    octyl acetate 1223.44
    limonene 1423.64
    1,2-dimethoxyethane 3554.78
    ethyl orthosilicate 634.91
    tributyl phosphate 755.89
    diacetone alcohol 1443.93
    N,N-dimethylaniline 1040.68
    acrylonitrile 4404.77
    aniline 2498.56
    1,3-propanediol 1655.38
    bromobenzene 4774.89
    dibromomethane 7703.5
    1,1,2,2-tetrachloroethane 7518.21
    2-methyl-cyclohexyl acetate 1372.38
    tetrabutyl urea 1028.86
    diisobutyl methanol 799.55
    2-phenylethanol 1573.1
    styrene 1786.03
    dioctyl adipate 1157.52
    dimethyl sulfate 1088.81
    ethyl butyrate 1828.64
    methyl lactate 781.32
    butyl lactate 1234.17
    diethyl carbonate 1151.88
    propanediol butyl ether 1490.88
    triethyl orthoformate 1159.25
    p-tert-butyltoluene 762.44
    methyl 4-tert-butylbenzoate 1290.55
    morpholine 5692.13
    tert-butylamine 2054.65
    n-dodecanol 597.95
    dimethoxymethane 1939.95
    ethylene carbonate 3115.74
    cyrene 1031.06
    2-ethoxyethyl acetate 1832.16
    2-ethylhexyl acetate 1803.56
    1,2,4-trichlorobenzene 3617.72
    4-methylpyridine 6475.74
    dibutyl ether 1854.58
    2,6-dimethyl-4-heptanol 799.55
    DEF 2723.2
    dimethyl isosorbide 1890.34
    tetrachloroethylene 5560.79
    eugenol 1240.91
    triacetin 1663.02
    span 80 1306.74
    1,4-butanediol 758.22
    1,1-dichloroethane 6347.43
    2-methyl-1-pentanol 1381.04
    methyl formate 2265.9
    2-methyl-1-butanol 1931.69
    n-decane 379.47
    butyronitrile 4378.7
    3,7-dimethyl-1-octanol 1207.81
    1-chlorooctane 1361.5
    1-chlorotetradecane 472.17
    n-nonane 429.28
    undecane 263.62
    tert-butylcyclohexane 387.96
    cyclooctane 481.62
    cyclopentanol 3751.94
    tetrahydropyran 6399.52
    tert-amyl methyl ether 1402.58
    2,5,8-trioxanonane 1786.89
    1-hexene 1911.5
    2-isopropoxyethanol 1154.01
    2,2,2-trifluoroethanol 954.39
    methyl butyrate 2339.76

    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