S-Ethyl thiolacetate

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  • Identifiers

    CAS number
    625-60-5

    Molecular formula
    C4H8OS

    SMILES
    CCSC(=O)C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 90.5%
    Meaty 66.46%
    Fruity 63.74%
    Onion 63.06%
    Tropical 62.74%
    Vegetable 59.03%
    Garlic 56.96%
    Alliaceous 52.94%
    Cheesy 50.37%
    Green 47.2%

     

    Flavor
    Sulfurous 62.1%
    Fruity 61.36%
    Onion 58.85%
    Sulfury 58.61%
    Garlic 58.26%
    Meaty 50.62%
    Vegetable 49.53%
    Cabbage 47.54%
    Potato 41.19%
    Tomato 40.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.53 (weak base)

    Molecular weight
    104.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    143°C

    Flash point

    • 29.16 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in alcohol; miscible in diethyl ether

  • Synonyms

    • S-Ethyl ethanethioate
    • 625-60-5
    • S-Ethyl thioacetate
    • S-Ethyl thiolacetate
    • Ethanethioic acid S-ethyl ester
    • Ethyl thiolacetate
    • ETHANETHIOIC ACID, S-ETHYL ESTER
    • Ethanethioic acid, ethyl ester
    • 59094-77-8
    • Acetic acid, thio-, S-ethyl ester
    • FEMA No. 3282
    • Acetic acid, thio-, ethyl ester
    • Thioethyl compound
    • 1-(ethylsulfanyl)ethan-1-one
    • EINECS 210-904-9
    • 6E715F929W
    • ETHANETHIOL, ACETATE
    • ETHYL THIOACETATE, S-
    • AI3-14852
    • Thioacetic Acid S-Ethyl Ester
    • DTXSID5060807
    • ETHYL THIOLACETATE [FHFI]
    • EINECS 261-601-3
    • MFCD00015178
    • CH3COSC2H5
    • Ethyl thioacetate, >=98%
    • Thioacetic acid, ethyl ester
    • SCHEMBL764245
    • DTXCID2043375
    • UNII-6E715F929W
    • FEMA 3282
    • CHEBI:179440
    • AKOS015950880
    • AS-87622
    • DB-054198
    • CS-0206289
    • E0708
    • NS00022550
    • H11301
    • EN300-7252096
    • Q27264667
    • 210-904-9
    • 261-601-3

  • Applications

    Ethyl thioacetate (CAS 625-60-5) is a volatile thioester valued in laboratory and industrial settings for its ability to deliver a thioacetyl group and reactive sulfur; it is widely employed as an intermediate for thioacetylation of alcohols, amines or halides to generate key thioesters and thioethers used in peptide synthesis, pharmaceuticals, agrochemicals and surfactants, and as a versatile protecting/deprotecting reagent for thiol functions that boosts coupling and cyclization efficiency; upon hydrolysis or reduction it liberates ethanethiol, so it also serves as a flavor precursor imparting onion-like notes to food science studies and seasoning production; additionally, ethyl thioacetate is a convenient building block for tailoring polymer mechanics, assisting rubber vulcanization, preparing antioxidant additives, and it can act as a specialized solvent or ligand in transition-metal mediated transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1160.48
    methanol 1657.02
    isopropanol 834.08
    water 34.89
    ethyl acetate 755.74
    n-propanol 824.59
    acetone 1033.23
    n-butanol 729.31
    acetonitrile 1078.72
    DMF 1068.85
    toluene 451.08
    isobutanol 573.23
    1,4-dioxane 1291.49
    methyl acetate 736.83
    THF 1464.44
    2-butanone 797.11
    n-pentanol 523.61
    sec-butanol 757.34
    n-hexane 212.41
    ethylene glycol 322.21
    NMP 1563.51
    cyclohexane 266.11
    DMSO 859.66
    n-butyl acetate 546.83
    n-octanol 424.69
    chloroform 2177.8
    n-propyl acetate 403.95
    acetic acid 1637.38
    dichloromethane 1641.09
    cyclohexanone 1184.62
    propylene glycol 335.1
    isopropyl acetate 416.31
    DMAc 793.57
    2-ethoxyethanol 711.48
    isopentanol 523.94
    n-heptane 148.82
    ethyl formate 510.48
    1,2-dichloroethane 804.55
    n-hexanol 621.5
    2-methoxyethanol 1080.05
    isobutyl acetate 246.27
    tetrachloromethane 541.49
    n-pentyl acetate 475.25
    transcutol 1983.89
    n-heptanol 335.37
    ethylbenzene 247.4
    MIBK 348.51
    2-propoxyethanol 871.73
    tert-butanol 844.72
    MTBE 629.96
    2-butoxyethanol 534.71
    propionic acid 861.63
    o-xylene 306.72
    formic acid 681.47
    diethyl ether 774.39
    m-xylene 304.06
    p-xylene 325.44
    chlorobenzene 663.02
    dimethyl carbonate 203.5
    n-octane 64.4
    formamide 686.7
    cyclopentanone 1304.72
    2-pentanone 672.45
    anisole 478.67
    cyclopentyl methyl ether 789.03
    gamma-butyrolactone 1403.52
    1-methoxy-2-propanol 779.71
    pyridine 1009.54
    3-pentanone 500.2
    furfural 1280.32
    n-dodecane 46.95
    diethylene glycol 646.23
    diisopropyl ether 233.99
    tert-amyl alcohol 726.54
    acetylacetone 700.25
    n-hexadecane 52.19
    acetophenone 446.89
    methyl propionate 522.04
    isopentyl acetate 425.21
    trichloroethylene 1581.65
    n-nonanol 347.55
    cyclohexanol 815.06
    benzyl alcohol 406.67
    2-ethylhexanol 371.63
    isooctanol 260.79
    dipropyl ether 381.24
    1,2-dichlorobenzene 589.38
    ethyl lactate 206.07
    propylene carbonate 705.38
    n-methylformamide 723.37
    2-pentanol 553.14
    n-pentane 190.78
    1-propoxy-2-propanol 605.02
    1-methoxy-2-propyl acetate 468.66
    2-(2-methoxypropoxy) propanol 443.64
    mesitylene 191.32
    ε-caprolactone 1068.58
    p-cymene 183.59
    epichlorohydrin 1065.7
    1,1,1-trichloroethane 1029.42
    2-aminoethanol 538.54
    morpholine-4-carbaldehyde 1272.74
    sulfolane 1233.35
    2,2,4-trimethylpentane 86.38
    2-methyltetrahydrofuran 1286.24
    n-hexyl acetate 670.59
    isooctane 57.4
    2-(2-butoxyethoxy)ethanol 660.34
    sec-butyl acetate 288.86
    tert-butyl acetate 425.76
    decalin 115.07
    glycerin 474.98
    diglyme 995.91
    acrylic acid 788.09
    isopropyl myristate 227.38
    n-butyric acid 981.76
    acetyl acetate 508.02
    di(2-ethylhexyl) phthalate 210.07
    ethyl propionate 348.02
    nitromethane 1652.01
    1,2-diethoxyethane 645.56
    benzonitrile 681.78
    trioctyl phosphate 159.6
    1-bromopropane 636.01
    gamma-valerolactone 1549.75
    n-decanol 240.4
    triethyl phosphate 181.48
    4-methyl-2-pentanol 262.98
    propionitrile 681.98
    vinylene carbonate 655.81
    1,1,2-trichlorotrifluoroethane 845.0
    DMS 401.8
    cumene 180.02
    2-octanol 277.77
    2-hexanone 468.76
    octyl acetate 301.19
    limonene 305.24
    1,2-dimethoxyethane 902.08
    ethyl orthosilicate 191.0
    tributyl phosphate 200.71
    diacetone alcohol 496.19
    N,N-dimethylaniline 326.86
    acrylonitrile 781.29
    aniline 558.03
    1,3-propanediol 696.9
    bromobenzene 644.73
    dibromomethane 1174.87
    1,1,2,2-tetrachloroethane 1216.79
    2-methyl-cyclohexyl acetate 319.9
    tetrabutyl urea 256.63
    diisobutyl methanol 204.21
    2-phenylethanol 432.66
    styrene 325.9
    dioctyl adipate 292.46
    dimethyl sulfate 312.6
    ethyl butyrate 356.0
    methyl lactate 301.54
    butyl lactate 336.2
    diethyl carbonate 238.49
    propanediol butyl ether 531.81
    triethyl orthoformate 271.4
    p-tert-butyltoluene 178.84
    methyl 4-tert-butylbenzoate 388.79
    morpholine 1386.16
    tert-butylamine 559.14
    n-dodecanol 174.9
    dimethoxymethane 578.39
    ethylene carbonate 526.72
    cyrene 404.97
    2-ethoxyethyl acetate 569.16
    2-ethylhexyl acetate 372.23
    1,2,4-trichlorobenzene 722.46
    4-methylpyridine 1048.12
    dibutyl ether 438.74
    2,6-dimethyl-4-heptanol 204.21
    DEF 760.94
    dimethyl isosorbide 650.22
    tetrachloroethylene 939.78
    eugenol 418.98
    triacetin 499.98
    span 80 473.13
    1,4-butanediol 316.4
    1,1-dichloroethane 1045.84
    2-methyl-1-pentanol 443.72
    methyl formate 505.01
    2-methyl-1-butanol 569.13
    n-decane 86.07
    butyronitrile 733.96
    3,7-dimethyl-1-octanol 330.83
    1-chlorooctane 297.18
    1-chlorotetradecane 106.59
    n-nonane 93.46
    undecane 60.13
    tert-butylcyclohexane 117.04
    cyclooctane 93.98
    cyclopentanol 890.26
    tetrahydropyran 1194.7
    tert-amyl methyl ether 515.83
    2,5,8-trioxanonane 678.82
    1-hexene 454.72
    2-isopropoxyethanol 498.62
    2,2,2-trifluoroethanol 537.68
    methyl butyrate 455.49

    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