1-Sulfanyloctan-3-one

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C8H16OS

    SMILES
    CCCCCC(=O)CCS

  • Odor profile

    Fruity 68.37%
    Meaty 49.38%
    Grapefruit 46.1%
    Tropical 44.27%
    Sulfurous 44.0%
    Cheesy 41.54%
    Citrus 37.67%
    Roasted 35.63%
    Savory 33.85%
    Herbal 33.68%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    160.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point est.
    85.08 ˚C

  • Synonyms

    • SCHEMBL18220858

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3015.44
    methanol 3797.04
    isopropanol 2253.49
    water 1.6
    ethyl acetate 1096.22
    n-propanol 1887.91
    acetone 3182.15
    n-butanol 1718.64
    acetonitrile 1503.8
    DMF 2107.07
    toluene 511.19
    isobutanol 1261.91
    1,4-dioxane 2221.66
    methyl acetate 1003.95
    THF 2838.19
    2-butanone 1492.03
    n-pentanol 1110.78
    sec-butanol 1414.04
    n-hexane 260.6
    ethylene glycol 456.38
    NMP 1359.82
    cyclohexane 444.72
    DMSO 2514.79
    n-butyl acetate 1072.72
    n-octanol 465.77
    chloroform 3187.91
    n-propyl acetate 801.65
    acetic acid 2175.55
    dichloromethane 2262.17
    cyclohexanone 2250.59
    propylene glycol 638.89
    isopropyl acetate 656.72
    DMAc 1078.29
    2-ethoxyethanol 1093.12
    isopentanol 1247.47
    n-heptane 160.43
    ethyl formate 749.98
    1,2-dichloroethane 1321.44
    n-hexanol 1153.98
    2-methoxyethanol 1902.19
    isobutyl acetate 521.87
    tetrachloromethane 474.25
    n-pentyl acetate 602.7
    transcutol 3267.9
    n-heptanol 437.13
    ethylbenzene 273.75
    MIBK 611.29
    2-propoxyethanol 1299.71
    tert-butanol 1950.0
    MTBE 1151.46
    2-butoxyethanol 700.38
    propionic acid 1132.56
    o-xylene 282.79
    formic acid 540.86
    diethyl ether 1424.42
    m-xylene 303.91
    p-xylene 396.26
    chlorobenzene 793.44
    dimethyl carbonate 199.95
    n-octane 55.84
    formamide 635.04
    cyclopentanone 1939.16
    2-pentanone 1244.58
    anisole 529.7
    cyclopentyl methyl ether 1035.66
    gamma-butyrolactone 1638.88
    1-methoxy-2-propanol 1235.06
    pyridine 1883.46
    3-pentanone 670.89
    furfural 1464.47
    n-dodecane 40.7
    diethylene glycol 930.71
    diisopropyl ether 295.27
    tert-amyl alcohol 1186.26
    acetylacetone 1037.81
    n-hexadecane 46.28
    acetophenone 511.49
    methyl propionate 587.58
    isopentyl acetate 820.81
    trichloroethylene 2521.31
    n-nonanol 370.04
    cyclohexanol 1416.04
    benzyl alcohol 573.18
    2-ethylhexanol 544.86
    isooctanol 321.47
    dipropyl ether 588.97
    1,2-dichlorobenzene 585.98
    ethyl lactate 268.43
    propylene carbonate 835.68
    n-methylformamide 976.62
    2-pentanol 1024.62
    n-pentane 216.58
    1-propoxy-2-propanol 960.99
    1-methoxy-2-propyl acetate 662.6
    2-(2-methoxypropoxy) propanol 536.19
    mesitylene 190.67
    ε-caprolactone 1424.02
    p-cymene 183.79
    epichlorohydrin 1606.17
    1,1,1-trichloroethane 1388.11
    2-aminoethanol 910.81
    morpholine-4-carbaldehyde 1434.92
    sulfolane 1554.93
    2,2,4-trimethylpentane 67.59
    2-methyltetrahydrofuran 1923.85
    n-hexyl acetate 774.45
    isooctane 59.02
    2-(2-butoxyethoxy)ethanol 832.83
    sec-butyl acetate 462.36
    tert-butyl acetate 642.11
    decalin 114.41
    glycerin 677.06
    diglyme 1525.96
    acrylic acid 955.05
    isopropyl myristate 256.28
    n-butyric acid 1711.67
    acetyl acetate 606.53
    di(2-ethylhexyl) phthalate 241.24
    ethyl propionate 447.55
    nitromethane 2164.0
    1,2-diethoxyethane 1026.73
    benzonitrile 874.67
    trioctyl phosphate 186.74
    1-bromopropane 1046.94
    gamma-valerolactone 2057.57
    n-decanol 249.6
    triethyl phosphate 201.92
    4-methyl-2-pentanol 451.45
    propionitrile 1025.13
    vinylene carbonate 792.38
    1,1,2-trichlorotrifluoroethane 1244.44
    DMS 437.52
    cumene 175.83
    2-octanol 318.99
    2-hexanone 1042.2
    octyl acetate 326.82
    limonene 330.12
    1,2-dimethoxyethane 1773.35
    ethyl orthosilicate 211.6
    tributyl phosphate 230.99
    diacetone alcohol 707.01
    N,N-dimethylaniline 326.63
    acrylonitrile 1076.82
    aniline 732.27
    1,3-propanediol 1188.49
    bromobenzene 779.31
    dibromomethane 1752.4
    1,1,2,2-tetrachloroethane 1920.01
    2-methyl-cyclohexyl acetate 417.43
    tetrabutyl urea 295.82
    diisobutyl methanol 287.49
    2-phenylethanol 537.45
    styrene 417.59
    dioctyl adipate 376.48
    dimethyl sulfate 315.52
    ethyl butyrate 534.22
    methyl lactate 323.65
    butyl lactate 434.83
    diethyl carbonate 317.57
    propanediol butyl ether 772.58
    triethyl orthoformate 365.89
    p-tert-butyltoluene 174.74
    methyl 4-tert-butylbenzoate 399.92
    morpholine 2613.41
    tert-butylamine 1192.47
    n-dodecanol 182.66
    dimethoxymethane 863.13
    ethylene carbonate 693.23
    cyrene 446.3
    2-ethoxyethyl acetate 708.74
    2-ethylhexyl acetate 588.52
    1,2,4-trichlorobenzene 714.4
    4-methylpyridine 1561.87
    dibutyl ether 584.8
    2,6-dimethyl-4-heptanol 287.49
    DEF 978.3
    dimethyl isosorbide 713.96
    tetrachloroethylene 1369.69
    eugenol 438.26
    triacetin 596.84
    span 80 575.13
    1,4-butanediol 512.49
    1,1-dichloroethane 1726.11
    2-methyl-1-pentanol 773.85
    methyl formate 676.6
    2-methyl-1-butanol 1055.46
    n-decane 76.89
    butyronitrile 1399.98
    3,7-dimethyl-1-octanol 400.68
    1-chlorooctane 288.78
    1-chlorotetradecane 103.1
    n-nonane 82.38
    undecane 52.45
    tert-butylcyclohexane 104.82
    cyclooctane 89.15
    cyclopentanol 1378.35
    tetrahydropyran 2700.66
    tert-amyl methyl ether 617.7
    2,5,8-trioxanonane 925.86
    1-hexene 849.94
    2-isopropoxyethanol 747.68
    2,2,2-trifluoroethanol 443.04
    methyl butyrate 770.96

    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