S-Ethyl propanethioate

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  • Identifiers

    CAS number
    2432-42-0

    Molecular formula
    C5H10OS

    SMILES
    CCC(=O)SCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 84.09%
    Vegetable 68.52%
    Cheesy 61.95%
    Onion 59.23%
    Green 58.25%
    Tropical 57.46%
    Garlic 55.18%
    Cabbage 53.65%
    Alliaceous 50.96%
    Fruity 50.14%

     

    Flavor
    Sulfurous 63.53%
    Garlic 61.03%
    Onion 59.71%
    Sulfury 55.39%
    Cabbage 48.21%
    Cheese 46.57%
    Vegetable 43.02%
    Tomato 41.75%
    Potato 37.61%
    Meaty 33.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.1 (weak base)

    Molecular weight
    118.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    165°C

    Flash point

    • 37.74 ˚C est.

  • Synonyms

    • s-Ethyl thiopropionate
    • 2432-42-0
    • S-Ethyl propanethioate
    • S-Ethylthiopropionate
    • Ethyl thiopropionate
    • Ethyl propanethioate
    • Propanethioic acid, S-ethyl ester
    • Thiopropionic acid S-ethyl ester
    • EINECS 219-405-0
    • DTXSID00179063
    • NSC 159051
    • MFCD00027016
    • PROPANETHIOIC ACID,S-ETHYL ESTER
    • 1-(ethylsulfanyl)propan-1-one
    • SCHEMBL5660160
    • DTXCID30101554
    • Thiopropionic acid, S-ethyl ester
    • S-Ethyl thiopropionate, AldrichCPR
    • NSC159051
    • AKOS015898845
    • NSC-159051
    • LS-13070
    • DB-046398
    • CS-0313626
    • E0971
    • NS00021915
    • D90578
    • 219-405-0

  • Applications

    S-Ethyl propanethioate (CAS 2432-42-0) is primarily used as an intermediate in organosulfur chemistry and as a thioester building block for the synthesis of more complex compounds, including pharmaceutical and agrochemical targets. It may also serve as a fragrance and flavor intermediate in perfumery and flavor applications, contributing sulfur-containing notes. In cosmetics/personal care and household products, it can be encountered as a potential odorant or aroma ingredient within formulated systems, subject to local regulations and formulation limits. In research and development settings, it is evaluated as a reagent for thioester transfer reactions and related transformations in synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1864.33
    methanol 2700.62
    isopropanol 1544.73
    water 16.34
    ethyl acetate 1904.27
    n-propanol 1523.45
    acetone 3114.22
    n-butanol 1417.54
    acetonitrile 3216.22
    DMF 3785.68
    toluene 1160.29
    isobutanol 1086.02
    1,4-dioxane 3007.84
    methyl acetate 2078.65
    THF 3303.49
    2-butanone 2388.2
    n-pentanol 1079.91
    sec-butanol 1463.24
    n-hexane 385.32
    ethylene glycol 521.17
    NMP 4315.05
    cyclohexane 475.98
    DMSO 3352.45
    n-butyl acetate 1696.44
    n-octanol 993.58
    chloroform 5810.36
    n-propyl acetate 1492.78
    acetic acid 2689.22
    dichloromethane 5104.4
    cyclohexanone 3837.34
    propylene glycol 559.04
    isopropyl acetate 1241.14
    DMAc 2252.87
    2-ethoxyethanol 1566.41
    isopentanol 1063.55
    n-heptane 242.07
    ethyl formate 1533.6
    1,2-dichloroethane 3044.28
    n-hexanol 1119.33
    2-methoxyethanol 2299.99
    isobutyl acetate 845.62
    tetrachloromethane 1383.04
    n-pentyl acetate 1531.38
    transcutol 4114.84
    n-heptanol 733.58
    ethylbenzene 756.24
    MIBK 1090.93
    2-propoxyethanol 1766.2
    tert-butanol 1561.56
    MTBE 1435.34
    2-butoxyethanol 1244.55
    propionic acid 1897.08
    o-xylene 809.31
    formic acid 955.3
    diethyl ether 1609.88
    m-xylene 785.94
    p-xylene 1029.35
    chlorobenzene 2175.5
    dimethyl carbonate 672.36
    n-octane 151.64
    formamide 1276.14
    cyclopentanone 4087.85
    2-pentanone 1902.4
    anisole 1493.4
    cyclopentyl methyl ether 1870.67
    gamma-butyrolactone 4233.26
    1-methoxy-2-propanol 1711.29
    pyridine 3193.46
    3-pentanone 1517.61
    furfural 4031.94
    n-dodecane 119.53
    diethylene glycol 1238.79
    diisopropyl ether 573.45
    tert-amyl alcohol 1390.71
    acetylacetone 2169.56
    n-hexadecane 136.81
    acetophenone 1489.63
    methyl propionate 1476.73
    isopentyl acetate 1336.01
    trichloroethylene 6053.18
    n-nonanol 781.73
    cyclohexanol 1668.79
    benzyl alcohol 1180.2
    2-ethylhexanol 759.0
    isooctanol 616.25
    dipropyl ether 860.98
    1,2-dichlorobenzene 2092.45
    ethyl lactate 622.28
    propylene carbonate 2158.65
    n-methylformamide 2282.54
    2-pentanol 1062.55
    n-pentane 286.55
    1-propoxy-2-propanol 1280.29
    1-methoxy-2-propyl acetate 1243.33
    2-(2-methoxypropoxy) propanol 976.66
    mesitylene 562.51
    ε-caprolactone 3247.64
    p-cymene 509.36
    epichlorohydrin 3544.98
    1,1,1-trichloroethane 3330.75
    2-aminoethanol 872.33
    morpholine-4-carbaldehyde 3654.61
    sulfolane 4775.54
    2,2,4-trimethylpentane 181.54
    2-methyltetrahydrofuran 2977.1
    n-hexyl acetate 2019.28
    isooctane 139.24
    2-(2-butoxyethoxy)ethanol 1408.55
    sec-butyl acetate 983.08
    tert-butyl acetate 1287.48
    decalin 272.65
    glycerin 790.84
    diglyme 2601.9
    acrylic acid 1821.89
    isopropyl myristate 649.86
    n-butyric acid 2211.12
    acetyl acetate 1322.92
    di(2-ethylhexyl) phthalate 520.84
    ethyl propionate 1185.68
    nitromethane 4575.36
    1,2-diethoxyethane 1728.63
    benzonitrile 2442.49
    trioctyl phosphate 432.89
    1-bromopropane 1775.75
    gamma-valerolactone 4542.97
    n-decanol 534.42
    triethyl phosphate 530.29
    4-methyl-2-pentanol 544.77
    propionitrile 2178.51
    vinylene carbonate 2352.27
    1,1,2-trichlorotrifluoroethane 2336.12
    DMS 1278.9
    cumene 518.35
    2-octanol 715.68
    2-hexanone 1486.44
    octyl acetate 823.55
    limonene 727.07
    1,2-dimethoxyethane 2462.19
    ethyl orthosilicate 511.38
    tributyl phosphate 586.21
    diacetone alcohol 1279.23
    N,N-dimethylaniline 964.16
    acrylonitrile 2867.2
    aniline 1421.34
    1,3-propanediol 1326.72
    bromobenzene 2326.98
    dibromomethane 3331.79
    1,1,2,2-tetrachloroethane 4460.05
    2-methyl-cyclohexyl acetate 872.78
    tetrabutyl urea 758.02
    diisobutyl methanol 461.45
    2-phenylethanol 1096.14
    styrene 1076.27
    dioctyl adipate 829.66
    dimethyl sulfate 1146.97
    ethyl butyrate 1170.26
    methyl lactate 771.64
    butyl lactate 997.66
    diethyl carbonate 758.27
    propanediol butyl ether 1291.94
    triethyl orthoformate 781.05
    p-tert-butyltoluene 474.54
    methyl 4-tert-butylbenzoate 1110.5
    morpholine 3221.75
    tert-butylamine 1084.37
    n-dodecanol 393.76
    dimethoxymethane 1566.43
    ethylene carbonate 1833.25
    cyrene 919.94
    2-ethoxyethyl acetate 1557.94
    2-ethylhexyl acetate 1101.9
    1,2,4-trichlorobenzene 2304.04
    4-methylpyridine 3530.75
    dibutyl ether 1107.38
    2,6-dimethyl-4-heptanol 461.45
    DEF 2297.48
    dimethyl isosorbide 1607.81
    tetrachloroethylene 3048.79
    eugenol 1159.33
    triacetin 1337.63
    span 80 988.45
    1,4-butanediol 658.89
    1,1-dichloroethane 3381.47
    2-methyl-1-pentanol 912.83
    methyl formate 1730.81
    2-methyl-1-butanol 1095.54
    n-decane 209.86
    butyronitrile 2223.46
    3,7-dimethyl-1-octanol 764.32
    1-chlorooctane 767.56
    1-chlorotetradecane 286.2
    n-nonane 226.28
    undecane 150.51
    tert-butylcyclohexane 279.15
    cyclooctane 192.46
    cyclopentanol 1846.39
    tetrahydropyran 2715.37
    tert-amyl methyl ether 1092.02
    2,5,8-trioxanonane 1580.65
    1-hexene 985.37
    2-isopropoxyethanol 1147.3
    2,2,2-trifluoroethanol 931.21
    methyl butyrate 1734.16

    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