2-(Ethylthio)butane

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  • Identifiers

    CAS number
    5008-72-0

    Molecular formula
    C6H14S

    SMILES
    CCC(C)SCC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 83.61%
    Meaty 69.18%
    Vegetable 65.47%
    Onion 63.41%
    Alliaceous 59.09%
    Savory 56.32%
    Garlic 53.51%
    Green 52.62%
    Tropical 46.64%
    Roasted 43.47%

     

    Flavor
    Sulfurous 55.38%
    Onion 47.69%
    Green 35.83%
    Meaty 33.26%
    Sulfury 33.16%
    Garlic 31.93%
    Alliaceous 26.1%
    Gassy 25.43%
    Glue 24.02%
    Cabbage 23.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.24 (neutral)

    Molecular weight
    118.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    131°C

    Flash point

    • 21.45 ˚C est.

  • Synonyms

    • 2-(Ethylthio)butane
    • 5008-72-0
    • Butane, 2-(ethylthio)-
    • Sulfide, sec-butyl ethyl
    • 4-Methyl-3-thiahexane
    • sec-Butyl ethyl sulfide
    • (1-Methylpropyl) ethyl sulfide
    • RefChem:84717
    • 225-685-5
    • EINECS 225-685-5
    • JFNGZXUPUVUYST-UHFFFAOYSA-N
    • ETHYL SEC-BUTYL SULFIDE
    • 2-ethylsulfanylbutane
    • s-butyl ethyl sulfide
    • SCHEMBL291466
    • SCHEMBL291467
    • SCHEMBL1362975
    • SCHEMBL1766117
    • SCHEMBL2506346
    • SCHEMBL8744903
    • SCHEMBL8744922
    • SCHEMBL18797447
    • DTXSID401037391
    • AKOS006229653
    • DB-051728
    • NS00046397
    • 5008-72-0

  • Applications

    2-(Ethylthio)butane is an organosulfur compound with a C–S linkage, typically used as an intermediate in the synthesis of sulfur-containing compounds for pharmaceutical and agrochemical applications; it may also serve as a precursor or building block for sulfur-containing fragrance ingredients in perfumery; it can be used as a solvent or reaction medium in specialized chemical processing; it may function as a building block in polymer or coating formulations to introduce sulfur functionality; and it may be considered as a component in cleaning formulations as a fragrance or processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1228.25
    methanol 628.31
    isopropanol 1213.05
    water 0.1
    ethyl acetate 2175.9
    n-propanol 1366.51
    acetone 2161.3
    n-butanol 1715.11
    acetonitrile 1272.04
    DMF 970.45
    toluene 1574.25
    isobutanol 1158.29
    1,4-dioxane 3386.17
    methyl acetate 1446.6
    THF 5296.85
    2-butanone 2231.68
    n-pentanol 1026.25
    sec-butanol 1467.46
    n-hexane 1022.79
    ethylene glycol 80.96
    NMP 1462.41
    cyclohexane 1848.49
    DMSO 1412.46
    n-butyl acetate 4726.5
    n-octanol 1028.16
    chloroform 3624.72
    n-propyl acetate 1449.52
    acetic acid 650.44
    dichloromethane 2773.06
    cyclohexanone 4020.26
    propylene glycol 209.71
    isopropyl acetate 1458.77
    DMAc 844.65
    2-ethoxyethanol 867.07
    isopentanol 1447.17
    n-heptane 1899.06
    ethyl formate 965.73
    1,2-dichloroethane 1923.44
    n-hexanol 2621.39
    2-methoxyethanol 1217.02
    isobutyl acetate 908.56
    tetrachloromethane 1282.76
    n-pentyl acetate 1583.04
    transcutol 2906.13
    n-heptanol 1009.3
    ethylbenzene 647.44
    MIBK 1301.68
    2-propoxyethanol 2223.69
    tert-butanol 1822.19
    MTBE 2562.81
    2-butoxyethanol 1078.46
    propionic acid 799.86
    o-xylene 831.16
    formic acid 74.87
    diethyl ether 3208.51
    m-xylene 914.66
    p-xylene 742.47
    chlorobenzene 1525.73
    dimethyl carbonate 275.23
    n-octane 489.71
    formamide 119.96
    cyclopentanone 3275.66
    2-pentanone 2185.62
    anisole 965.5
    cyclopentyl methyl ether 3055.27
    gamma-butyrolactone 2327.21
    1-methoxy-2-propanol 1118.24
    pyridine 2414.6
    3-pentanone 1596.62
    furfural 1665.39
    n-dodecane 231.65
    diethylene glycol 732.42
    diisopropyl ether 1145.48
    tert-amyl alcohol 1680.86
    acetylacetone 1518.02
    n-hexadecane 270.27
    acetophenone 736.03
    methyl propionate 1087.53
    isopentyl acetate 2996.84
    trichloroethylene 2785.55
    n-nonanol 873.7
    cyclohexanol 2014.07
    benzyl alcohol 576.03
    2-ethylhexanol 2183.76
    isooctanol 845.11
    dipropyl ether 3717.01
    1,2-dichlorobenzene 1195.93
    ethyl lactate 351.0
    propylene carbonate 1398.47
    n-methylformamide 475.56
    2-pentanol 1390.64
    n-pentane 935.94
    1-propoxy-2-propanol 2429.98
    1-methoxy-2-propyl acetate 1893.32
    2-(2-methoxypropoxy) propanol 744.43
    mesitylene 642.73
    ε-caprolactone 2809.38
    p-cymene 890.83
    epichlorohydrin 2519.91
    1,1,1-trichloroethane 2737.61
    2-aminoethanol 255.65
    morpholine-4-carbaldehyde 1585.27
    sulfolane 2351.08
    2,2,4-trimethylpentane 387.04
    2-methyltetrahydrofuran 4548.94
    n-hexyl acetate 1746.36
    isooctane 354.8
    2-(2-butoxyethoxy)ethanol 1121.26
    sec-butyl acetate 985.82
    tert-butyl acetate 1628.9
    decalin 529.43
    glycerin 226.29
    diglyme 2092.47
    acrylic acid 448.72
    isopropyl myristate 762.28
    n-butyric acid 1794.81
    acetyl acetate 977.46
    di(2-ethylhexyl) phthalate 405.1
    ethyl propionate 1057.52
    nitromethane 970.65
    1,2-diethoxyethane 2885.36
    benzonitrile 1153.78
    trioctyl phosphate 413.53
    1-bromopropane 2391.8
    gamma-valerolactone 2883.01
    n-decanol 614.48
    triethyl phosphate 626.92
    4-methyl-2-pentanol 775.32
    propionitrile 1467.18
    vinylene carbonate 1062.8
    1,1,2-trichlorotrifluoroethane 1110.1
    DMS 692.71
    cumene 408.59
    2-octanol 808.59
    2-hexanone 1596.79
    octyl acetate 868.33
    limonene 1927.88
    1,2-dimethoxyethane 2020.14
    ethyl orthosilicate 693.44
    tributyl phosphate 524.99
    diacetone alcohol 1198.21
    N,N-dimethylaniline 549.74
    acrylonitrile 1088.82
    aniline 1110.92
    1,3-propanediol 589.27
    bromobenzene 1791.84
    dibromomethane 2532.5
    1,1,2,2-tetrachloroethane 2440.34
    2-methyl-cyclohexyl acetate 1334.86
    tetrabutyl urea 629.58
    diisobutyl methanol 1178.26
    2-phenylethanol 1069.34
    styrene 840.05
    dioctyl adipate 748.27
    dimethyl sulfate 373.9
    ethyl butyrate 2476.48
    methyl lactate 323.15
    butyl lactate 831.36
    diethyl carbonate 1099.93
    propanediol butyl ether 731.14
    triethyl orthoformate 1507.48
    p-tert-butyltoluene 856.18
    methyl 4-tert-butylbenzoate 719.21
    morpholine 3317.71
    tert-butylamine 1497.41
    n-dodecanol 464.56
    dimethoxymethane 1022.71
    ethylene carbonate 1124.23
    cyrene 565.54
    2-ethoxyethyl acetate 1378.38
    2-ethylhexyl acetate 2753.34
    1,2,4-trichlorobenzene 1284.86
    4-methylpyridine 2332.76
    dibutyl ether 2362.57
    2,6-dimethyl-4-heptanol 1178.26
    DEF 1686.19
    dimethyl isosorbide 1495.24
    tetrachloroethylene 1694.83
    eugenol 595.86
    triacetin 858.16
    span 80 884.2
    1,4-butanediol 216.1
    1,1-dichloroethane 2422.92
    2-methyl-1-pentanol 945.01
    methyl formate 371.58
    2-methyl-1-butanol 1372.59
    n-decane 466.26
    butyronitrile 2232.18
    3,7-dimethyl-1-octanol 1152.89
    1-chlorooctane 1114.62
    1-chlorotetradecane 400.73
    n-nonane 547.16
    undecane 309.56
    tert-butylcyclohexane 480.88
    cyclooctane 730.02
    cyclopentanol 1683.89
    tetrahydropyran 5394.86
    tert-amyl methyl ether 1849.62
    2,5,8-trioxanonane 1205.56
    1-hexene 1961.26
    2-isopropoxyethanol 731.25
    2,2,2-trifluoroethanol 161.64
    methyl butyrate 1440.08

    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