S-benzyl ethanethioate

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  • Identifiers

    CAS number
    32362-99-5

    Molecular formula
    C9H10OS

    SMILES
    CC(=O)SCC1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 84.16%
    Fruity 57.88%
    Tropical 50.82%
    Meaty 49.44%
    Onion 48.74%
    Garlic 48.5%
    Vegetable 48.22%
    Green 46.06%
    Alliaceous 45.14%
    Burnt 43.59%

     

    Flavor
    Sulfurous 41.85%
    Sulfury 38.88%
    Meaty 38.35%
    Onion 37.96%
    Roasted 37.86%
    Coffee 32.81%
    Horseradish 32.61%
    Garlic 31.75%
    Metallic 29.64%
    Floral 29.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.56 (neutral)

    Molecular weight
    166.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 107.16 ˚C est.

  • Synonyms

    • 32362-99-5
    • S-benzyl ethanethioate
    • Benzylthioacetate
    • S-benzylthioacetate
    • 1-(benzylsulfanyl)ethan-1-one
    • S-Benzyl thioacetate
    • SCHEMBL42484
    • S-(phenylmethyl) ethanethioate
    • SCHEMBL3147620
    • SCHEMBL4265664
    • SCHEMBL7297199
    • ethanethioic acid S-benzyl ester
    • SCHEMBL16115015
    • DTXSID90448331
    • XQLIUJWBXPIGCB-UHFFFAOYSA-N
    • HBA36299
    • MFCD00040030
    • AKOS006272053
    • ethanethioic acid S-(phenylmethyl) ester
    • SY394689
    • G23816
    • EN300-6486498
    • 362B995
    • A821245
    • 32362-99-5

  • Applications

    S-benzyl ethanethioate, CAS 32362-99-5, is primarily used as an acylating agent and thioester precursor in organic synthesis, enabling mild and selective acyl transfers to form thioester derivatives. It is commonly employed as an intermediate in the preparation of pharmaceuticals and agrochemicals, and may serve as a fragrance chemistry building block or scent precursor in specialty formulations. In polymer and materials chemistry, it can be used to introduce thioester linkages into small molecules or polymers, supporting controlled degradation or crosslinking strategies. It may also appear as a reactive component in coatings or inks as a specialty building block for resin synthesis. Overall, its use is governed by formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 316.69
    methanol 276.98
    isopropanol 210.97
    water 1.25
    ethyl acetate 574.97
    n-propanol 236.93
    acetone 636.71
    n-butanol 186.72
    acetonitrile 576.64
    DMF 862.86
    toluene 232.02
    isobutanol 152.83
    1,4-dioxane 932.24
    methyl acetate 677.2
    THF 553.63
    2-butanone 683.93
    n-pentanol 158.85
    sec-butanol 212.56
    n-hexane 13.21
    ethylene glycol 132.15
    NMP 549.01
    cyclohexane 23.94
    DMSO 819.47
    n-butyl acetate 287.61
    n-octanol 110.5
    chloroform 1176.88
    n-propyl acetate 294.64
    acetic acid 317.47
    dichloromethane 941.44
    cyclohexanone 595.47
    propylene glycol 189.51
    isopropyl acetate 224.93
    DMAc 738.14
    2-ethoxyethanol 389.61
    isopentanol 157.41
    n-heptane 17.88
    ethyl formate 310.29
    1,2-dichloroethane 618.66
    n-hexanol 189.41
    2-methoxyethanol 509.01
    isobutyl acetate 168.57
    tetrachloromethane 101.17
    n-pentyl acetate 150.98
    transcutol 1658.28
    n-heptanol 96.68
    ethylbenzene 140.19
    MIBK 189.16
    2-propoxyethanol 370.5
    tert-butanol 242.17
    MTBE 226.96
    2-butoxyethanol 218.77
    propionic acid 363.85
    o-xylene 147.06
    formic acid 123.39
    diethyl ether 287.24
    m-xylene 139.43
    p-xylene 156.86
    chlorobenzene 330.91
    dimethyl carbonate 183.0
    n-octane 8.1
    formamide 262.94
    cyclopentanone 657.93
    2-pentanone 364.14
    anisole 382.0
    cyclopentyl methyl ether 249.72
    gamma-butyrolactone 726.02
    1-methoxy-2-propanol 367.95
    pyridine 728.37
    3-pentanone 338.6
    furfural 780.33
    n-dodecane 8.75
    diethylene glycol 322.24
    diisopropyl ether 63.37
    tert-amyl alcohol 229.15
    acetylacetone 460.22
    n-hexadecane 10.18
    acetophenone 338.43
    methyl propionate 441.8
    isopentyl acetate 224.94
    trichloroethylene 1357.17
    n-nonanol 96.89
    cyclohexanol 197.78
    benzyl alcohol 262.41
    2-ethylhexanol 130.93
    isooctanol 83.71
    dipropyl ether 144.98
    1,2-dichlorobenzene 292.58
    ethyl lactate 143.68
    propylene carbonate 417.81
    n-methylformamide 417.79
    2-pentanol 138.67
    n-pentane 9.97
    1-propoxy-2-propanol 270.31
    1-methoxy-2-propyl acetate 303.61
    2-(2-methoxypropoxy) propanol 267.48
    mesitylene 76.28
    ε-caprolactone 505.63
    p-cymene 76.23
    epichlorohydrin 865.58
    1,1,1-trichloroethane 497.55
    2-aminoethanol 227.62
    morpholine-4-carbaldehyde 750.03
    sulfolane 706.46
    2,2,4-trimethylpentane 10.93
    2-methyltetrahydrofuran 438.22
    n-hexyl acetate 236.54
    isooctane 8.53
    2-(2-butoxyethoxy)ethanol 366.74
    sec-butyl acetate 189.78
    tert-butyl acetate 221.02
    decalin 24.15
    glycerin 243.41
    diglyme 669.77
    acrylic acid 333.21
    isopropyl myristate 92.59
    n-butyric acid 339.84
    acetyl acetate 300.07
    di(2-ethylhexyl) phthalate 93.21
    ethyl propionate 246.76
    nitromethane 809.11
    1,2-diethoxyethane 410.96
    benzonitrile 340.01
    trioctyl phosphate 62.63
    1-bromopropane 242.9
    gamma-valerolactone 902.48
    n-decanol 74.13
    triethyl phosphate 105.99
    4-methyl-2-pentanol 81.1
    propionitrile 349.25
    vinylene carbonate 442.63
    1,1,2-trichlorotrifluoroethane 542.72
    DMS 287.06
    cumene 90.42
    2-octanol 66.18
    2-hexanone 291.23
    octyl acetate 113.87
    limonene 101.01
    1,2-dimethoxyethane 565.24
    ethyl orthosilicate 100.25
    tributyl phosphate 84.08
    diacetone alcohol 287.27
    N,N-dimethylaniline 212.97
    acrylonitrile 495.95
    aniline 293.01
    1,3-propanediol 249.67
    bromobenzene 339.4
    dibromomethane 545.4
    1,1,2,2-tetrachloroethane 938.6
    2-methyl-cyclohexyl acetate 170.5
    tetrabutyl urea 114.79
    diisobutyl methanol 75.53
    2-phenylethanol 217.69
    styrene 193.41
    dioctyl adipate 146.11
    dimethyl sulfate 299.53
    ethyl butyrate 204.93
    methyl lactate 201.22
    butyl lactate 153.04
    diethyl carbonate 153.37
    propanediol butyl ether 261.25
    triethyl orthoformate 139.55
    p-tert-butyltoluene 70.78
    methyl 4-tert-butylbenzoate 213.57
    morpholine 827.24
    tert-butylamine 130.59
    n-dodecanol 58.06
    dimethoxymethane 351.34
    ethylene carbonate 325.5
    cyrene 247.16
    2-ethoxyethyl acetate 306.5
    2-ethylhexyl acetate 185.49
    1,2,4-trichlorobenzene 380.68
    4-methylpyridine 581.17
    dibutyl ether 144.89
    2,6-dimethyl-4-heptanol 75.53
    DEF 411.74
    dimethyl isosorbide 381.8
    tetrachloroethylene 520.45
    eugenol 221.39
    triacetin 303.15
    span 80 211.41
    1,4-butanediol 121.11
    1,1-dichloroethane 571.69
    2-methyl-1-pentanol 155.95
    methyl formate 323.6
    2-methyl-1-butanol 155.63
    n-decane 13.84
    butyronitrile 281.44
    3,7-dimethyl-1-octanol 119.53
    1-chlorooctane 73.82
    1-chlorotetradecane 31.31
    n-nonane 12.8
    undecane 10.66
    tert-butylcyclohexane 22.88
    cyclooctane 10.07
    cyclopentanol 187.16
    tetrahydropyran 515.56
    tert-amyl methyl ether 184.18
    2,5,8-trioxanonane 453.91
    1-hexene 83.88
    2-isopropoxyethanol 271.48
    2,2,2-trifluoroethanol 142.82
    methyl butyrate 318.16

    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