S-Butyl ethanethioate

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  • Identifiers

    CAS number
    928-47-2

    Molecular formula
    C6H12OS

    SMILES
    CCCCSC(=O)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 85.33%
    Fruity 73.54%
    Green 71.64%
    Tropical 71.16%
    Vegetable 62.99%
    Onion 55.07%
    Cheesy 51.04%
    Meaty 48.33%
    Garlic 46.44%
    Alliaceous 45.92%

     

    Flavor
    Green 57.54%
    Sulfury 55.12%
    Sulfurous 53.83%
    Onion 51.16%
    Garlic 48.34%
    Fruity 44.22%
    Vegetable 41.87%
    Tomato 39.88%
    Tropical 35.52%
    Cheese 34.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.57 (neutral)

    Molecular weight
    132.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    177°C

    Flash point

    • 61.51 ˚C est.

  • Synonyms

    • S-Butyl ethanethioate
    • 928-47-2
    • S-n-Butyl thioacetate
    • S-N-BUTYLTHIOACETATE
    • BUTYL THIOACETATE
    • S-Butyl thioacetate
    • Ethanethioic acid, S-butyl ester
    • MFCD00039956
    • 6WJ63TB3UV
    • Acetic acid, thio-, S-butyl ester
    • NSC-83554
    • 1-Butanethiol acetate
    • Butyl thiolacetate
    • S-Butyl ethanethioate #
    • UNII-6WJ63TB3UV
    • s-N-Butylthioacetate,98%
    • Acetic acid, S-butyl ester
    • SCHEMBL1885262
    • SCHEMBL2736682
    • SCHEMBL3871899
    • CH3C(O)S(CH2)3CH3
    • DTXSID60918950
    • XBHDWERUSGIZNS-UHFFFAOYSA-N
    • NSC83554
    • NSC 83554
    • SY128073
    • DB-057335
    • CS-0330240
    • 928-47-2

  • Applications

    S-Butyl ethanethioate (CAS 928-47-2) is a thioester that serves primarily as an intermediate and building block in organic synthesis, particularly for preparing thioester derivatives and acyl-transfer reagents. In the fragrance and personal care industries, it may be employed as an odorant or fragrance ingredient, contributing to formulations for perfumes and cosmetic products. In household cleaning formulations, it can function as a fragrance note in detergents and cleaners, subject to local regulations. In industrial manufacturing and chemical synthesis, it acts as a precursor to other thioester-containing compounds and related intermediates for more complex organic synthesis. Additionally, in research and development, it may be evaluated as a chemical substrate for laboratory-scale studies and exploration of thioester chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 875.92
    methanol 748.06
    isopropanol 788.39
    water 1.37
    ethyl acetate 488.57
    n-propanol 681.8
    acetone 924.76
    n-butanol 657.23
    acetonitrile 614.57
    DMF 1048.54
    toluene 330.58
    isobutanol 491.62
    1,4-dioxane 1069.83
    methyl acetate 458.65
    THF 1416.05
    2-butanone 643.6
    n-pentanol 398.24
    sec-butanol 636.04
    n-hexane 93.26
    ethylene glycol 180.56
    NMP 1008.04
    cyclohexane 212.47
    DMSO 1056.96
    n-butyl acetate 601.47
    n-octanol 337.9
    chloroform 1772.94
    n-propyl acetate 318.84
    acetic acid 711.26
    dichloromethane 1255.76
    cyclohexanone 1321.36
    propylene glycol 300.37
    isopropyl acetate 300.03
    DMAc 638.28
    2-ethoxyethanol 423.84
    isopentanol 482.89
    n-heptane 114.66
    ethyl formate 389.09
    1,2-dichloroethane 588.61
    n-hexanol 663.1
    2-methoxyethanol 783.35
    isobutyl acetate 217.54
    tetrachloromethane 300.81
    n-pentyl acetate 382.84
    transcutol 1425.19
    n-heptanol 285.31
    ethylbenzene 192.93
    MIBK 321.35
    2-propoxyethanol 735.76
    tert-butanol 789.21
    MTBE 469.23
    2-butoxyethanol 413.87
    propionic acid 580.48
    o-xylene 230.65
    formic acid 148.86
    diethyl ether 444.71
    m-xylene 246.53
    p-xylene 255.05
    chlorobenzene 487.09
    dimethyl carbonate 123.07
    n-octane 45.31
    formamide 195.49
    cyclopentanone 1211.88
    2-pentanone 553.18
    anisole 356.95
    cyclopentyl methyl ether 602.64
    gamma-butyrolactone 1085.52
    1-methoxy-2-propanol 625.74
    pyridine 864.19
    3-pentanone 356.76
    furfural 1038.76
    n-dodecane 36.12
    diethylene glycol 483.88
    diisopropyl ether 135.89
    tert-amyl alcohol 580.81
    acetylacetone 548.49
    n-hexadecane 42.02
    acetophenone 355.65
    methyl propionate 325.3
    isopentyl acetate 483.27
    trichloroethylene 1297.35
    n-nonanol 279.74
    cyclohexanol 779.85
    benzyl alcohol 327.56
    2-ethylhexanol 393.52
    isooctanol 222.91
    dipropyl ether 360.52
    1,2-dichlorobenzene 433.58
    ethyl lactate 173.7
    propylene carbonate 653.69
    n-methylformamide 454.76
    2-pentanol 450.02
    n-pentane 94.44
    1-propoxy-2-propanol 603.83
    1-methoxy-2-propyl acetate 454.38
    2-(2-methoxypropoxy) propanol 420.37
    mesitylene 158.1
    ε-caprolactone 889.23
    p-cymene 183.27
    epichlorohydrin 963.7
    1,1,1-trichloroethane 807.75
    2-aminoethanol 365.7
    morpholine-4-carbaldehyde 954.09
    sulfolane 1302.54
    2,2,4-trimethylpentane 46.51
    2-methyltetrahydrofuran 1067.84
    n-hexyl acetate 554.68
    isooctane 36.46
    2-(2-butoxyethoxy)ethanol 552.27
    sec-butyl acetate 221.01
    tert-butyl acetate 342.77
    decalin 80.04
    glycerin 345.66
    diglyme 829.13
    acrylic acid 469.6
    isopropyl myristate 214.83
    n-butyric acid 792.67
    acetyl acetate 312.88
    di(2-ethylhexyl) phthalate 207.74
    ethyl propionate 241.8
    nitromethane 894.44
    1,2-diethoxyethane 530.69
    benzonitrile 602.24
    trioctyl phosphate 164.39
    1-bromopropane 480.14
    gamma-valerolactone 1341.78
    n-decanol 204.75
    triethyl phosphate 175.1
    4-methyl-2-pentanol 220.25
    propionitrile 524.41
    vinylene carbonate 604.67
    1,1,2-trichlorotrifluoroethane 670.3
    DMS 306.87
    cumene 134.07
    2-octanol 245.14
    2-hexanone 419.42
    octyl acetate 273.58
    limonene 321.24
    1,2-dimethoxyethane 730.9
    ethyl orthosilicate 171.84
    tributyl phosphate 204.92
    diacetone alcohol 435.8
    N,N-dimethylaniline 229.59
    acrylonitrile 587.58
    aniline 411.35
    1,3-propanediol 510.0
    bromobenzene 500.57
    dibromomethane 911.97
    1,1,2,2-tetrachloroethane 1045.41
    2-methyl-cyclohexyl acetate 332.53
    tetrabutyl urea 275.41
    diisobutyl methanol 216.65
    2-phenylethanol 388.33
    styrene 252.03
    dioctyl adipate 307.16
    dimethyl sulfate 226.6
    ethyl butyrate 359.22
    methyl lactate 223.75
    butyl lactate 321.14
    diethyl carbonate 237.83
    propanediol butyl ether 491.48
    triethyl orthoformate 265.97
    p-tert-butyltoluene 177.78
    methyl 4-tert-butylbenzoate 340.65
    morpholine 1218.36
    tert-butylamine 513.78
    n-dodecanol 157.03
    dimethoxymethane 394.49
    ethylene carbonate 481.39
    cyrene 353.13
    2-ethoxyethyl acetate 419.2
    2-ethylhexyl acetate 393.23
    1,2,4-trichlorobenzene 536.83
    4-methylpyridine 870.35
    dibutyl ether 355.74
    2,6-dimethyl-4-heptanol 216.65
    DEF 548.66
    dimethyl isosorbide 648.39
    tetrachloroethylene 661.51
    eugenol 359.93
    triacetin 444.21
    span 80 483.82
    1,4-butanediol 210.43
    1,1-dichloroethane 805.42
    2-methyl-1-pentanol 327.97
    methyl formate 315.89
    2-methyl-1-butanol 444.98
    n-decane 61.7
    butyronitrile 686.29
    3,7-dimethyl-1-octanol 323.92
    1-chlorooctane 219.6
    1-chlorotetradecane 91.29
    n-nonane 65.28
    undecane 45.13
    tert-butylcyclohexane 76.08
    cyclooctane 59.52
    cyclopentanol 767.11
    tetrahydropyran 1192.06
    tert-amyl methyl ether 337.23
    2,5,8-trioxanonane 632.66
    1-hexene 304.36
    2-isopropoxyethanol 320.21
    2,2,2-trifluoroethanol 193.26
    methyl butyrate 369.87

    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