3-Ethylthiopropionate

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  • Identifiers

    CAS number
    7244-82-8

    Molecular formula
    C5H10O2S

    SMILES
    CCSCCC(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 82.96%
    Meaty 61.81%
    Cheesy 56.15%
    Tropical 56.13%
    Fruity 51.01%
    Roasted 50.1%
    Savory 49.05%
    Onion 42.54%
    Vegetable 41.02%
    Alliaceous 36.04%

     

    Flavor
    Sulfury 48.44%
    Cheese 46.26%
    Sulfurous 45.26%
    Onion 34.18%
    Vegetable 33.24%
    Garlic 31.42%
    Cabbage 31.2%
    Acidic 29.32%
    Sweat 28.67%
    Tomato 28.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.7 (neutral)

    Molecular weight
    134.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    253°C

    Flash point

    • 111.8 ˚C est.

  • Synonyms

    • 3-(Ethylthio)propanoic acid
    • 7244-82-8
    • 3-Ethylthiopropionate
    • 3-(ethylsulfanyl)propanoic acid
    • Propanoic acid, 3-(ethylthio)-
    • 3-ethylsulfanylpropanoic acid
    • Propionic acid, 3-(ethylthio)-
    • P7FX7M8TCE
    • 3-(Ethylthio)propionic acid
    • UNII-P7FX7M8TCE
    • NSC 147636
    • NSC-147636
    • DTXSID30222738
    • MFCD08272195
    • 3-ethyl thiopropionate
    • 3-(Ethylthio)propanoicacid
    • 3-Athylmercapto-propionsaure
    • Beta-Ethylmercaptopropionic acid
    • SCHEMBL1196750
    • DTXCID60145229
    • ALBB-004315
    • NSC147636
    • STK503099
    • AKOS000187513
    • AT30025
    • Propanoic acid, 3-(ethylthio)-(9CI)
    • Propionic acid, 3-(ethylthio)-(8CI)
    • LS-01616
    • SY082180
    • CS-0249654
    • EN300-44252
    • Z197206046

  • Applications

    3-Ethylthiopropionate (CAS 7244-82-8) is primarily used as an organic synthesis intermediate, serving as a building block to introduce thioester and sulfur-containing functionality in the preparation of sulfur-containing fragrance compounds, and as a precursor in pharmaceutical and agrochemical syntheses. In cosmetics and personal care, it may be used as a starting material for developing fragrance ingredients; in fragrance and flavor applications, it may be evaluated as a precursor or intermediate for fragrance formulas, under appropriate regulatory controls. In industrial manufacturing, it appears in esterification and acylation steps as part of larger synthetic sequences. Overall, its role is as a precursor or intermediate, with use depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 257.92
    methanol 279.97
    isopropanol 183.42
    water 10.2
    ethyl acetate 99.34
    n-propanol 164.91
    acetone 243.93
    n-butanol 172.39
    acetonitrile 78.35
    DMF 543.03
    toluene 22.57
    isobutanol 111.66
    1,4-dioxane 320.37
    methyl acetate 86.29
    THF 490.79
    2-butanone 116.67
    n-pentanol 115.89
    sec-butanol 112.47
    n-hexane 5.72
    ethylene glycol 117.42
    NMP 474.21
    cyclohexane 11.22
    DMSO 672.43
    n-butyl acetate 103.51
    n-octanol 76.63
    chloroform 58.41
    n-propyl acetate 73.67
    acetic acid 262.51
    dichloromethane 82.36
    cyclohexanone 281.01
    propylene glycol 123.22
    isopropyl acetate 76.95
    DMAc 282.49
    2-ethoxyethanol 192.05
    isopentanol 133.21
    n-heptane 9.66
    ethyl formate 109.96
    1,2-dichloroethane 64.34
    n-hexanol 130.25
    2-methoxyethanol 365.31
    isobutyl acetate 52.45
    tetrachloromethane 12.99
    n-pentyl acetate 81.74
    transcutol 506.79
    n-heptanol 74.6
    ethylbenzene 19.85
    MIBK 88.6
    2-propoxyethanol 235.92
    tert-butanol 203.78
    MTBE 68.63
    2-butoxyethanol 151.39
    propionic acid 150.17
    o-xylene 28.68
    formic acid 131.11
    diethyl ether 57.34
    m-xylene 30.55
    p-xylene 28.07
    chlorobenzene 41.58
    dimethyl carbonate 46.21
    n-octane 4.71
    formamide 163.75
    cyclopentanone 373.42
    2-pentanone 127.99
    anisole 69.84
    cyclopentyl methyl ether 143.09
    gamma-butyrolactone 395.29
    1-methoxy-2-propanol 273.36
    pyridine 122.95
    3-pentanone 65.07
    furfural 341.46
    n-dodecane 4.95
    diethylene glycol 224.27
    diisopropyl ether 23.91
    tert-amyl alcohol 123.8
    acetylacetone 189.46
    n-hexadecane 5.49
    acetophenone 89.33
    methyl propionate 83.61
    isopentyl acetate 100.79
    trichloroethylene 127.51
    n-nonanol 69.73
    cyclohexanol 140.08
    benzyl alcohol 82.27
    2-ethylhexanol 72.06
    isooctanol 58.67
    dipropyl ether 58.2
    1,2-dichlorobenzene 51.46
    ethyl lactate 59.85
    propylene carbonate 208.83
    n-methylformamide 230.07
    2-pentanol 94.82
    n-pentane 5.77
    1-propoxy-2-propanol 169.72
    1-methoxy-2-propyl acetate 128.31
    2-(2-methoxypropoxy) propanol 146.15
    mesitylene 26.08
    ε-caprolactone 236.09
    p-cymene 27.84
    epichlorohydrin 266.6
    1,1,1-trichloroethane 48.98
    2-aminoethanol 176.38
    morpholine-4-carbaldehyde 446.08
    sulfolane 569.21
    2,2,4-trimethylpentane 4.53
    2-methyltetrahydrofuran 240.06
    n-hexyl acetate 114.5
    isooctane 4.72
    2-(2-butoxyethoxy)ethanol 227.47
    sec-butyl acetate 50.08
    tert-butyl acetate 100.69
    decalin 7.84
    glycerin 196.64
    diglyme 336.98
    acrylic acid 139.28
    isopropyl myristate 52.4
    n-butyric acid 205.75
    acetyl acetate 79.79
    di(2-ethylhexyl) phthalate 65.13
    ethyl propionate 60.21
    nitromethane 305.61
    1,2-diethoxyethane 116.16
    benzonitrile 89.79
    trioctyl phosphate 53.79
    1-bromopropane 26.71
    gamma-valerolactone 520.24
    n-decanol 54.67
    triethyl phosphate 47.06
    4-methyl-2-pentanol 60.01
    propionitrile 66.38
    vinylene carbonate 170.86
    1,1,2-trichlorotrifluoroethane 195.97
    DMS 77.16
    cumene 21.51
    2-octanol 52.48
    2-hexanone 88.81
    octyl acetate 68.82
    limonene 42.3
    1,2-dimethoxyethane 269.5
    ethyl orthosilicate 45.52
    tributyl phosphate 58.07
    diacetone alcohol 182.74
    N,N-dimethylaniline 62.35
    acrylonitrile 94.83
    aniline 63.86
    1,3-propanediol 241.5
    bromobenzene 33.24
    dibromomethane 46.22
    1,1,2,2-tetrachloroethane 106.15
    2-methyl-cyclohexyl acetate 81.64
    tetrabutyl urea 89.99
    diisobutyl methanol 49.41
    2-phenylethanol 92.89
    styrene 22.02
    dioctyl adipate 85.97
    dimethyl sulfate 99.47
    ethyl butyrate 78.07
    methyl lactate 92.19
    butyl lactate 93.66
    diethyl carbonate 50.08
    propanediol butyl ether 174.49
    triethyl orthoformate 63.64
    p-tert-butyltoluene 28.09
    methyl 4-tert-butylbenzoate 118.28
    morpholine 357.76
    tert-butylamine 92.63
    n-dodecanol 41.65
    dimethoxymethane 188.57
    ethylene carbonate 141.66
    cyrene 164.48
    2-ethoxyethyl acetate 112.09
    2-ethylhexyl acetate 73.67
    1,2,4-trichlorobenzene 70.46
    4-methylpyridine 120.18
    dibutyl ether 59.94
    2,6-dimethyl-4-heptanol 49.41
    DEF 173.42
    dimethyl isosorbide 260.49
    tetrachloroethylene 71.75
    eugenol 125.7
    triacetin 116.39
    span 80 165.02
    1,4-butanediol 101.18
    1,1-dichloroethane 48.9
    2-methyl-1-pentanol 89.11
    methyl formate 159.02
    2-methyl-1-butanol 105.73
    n-decane 7.36
    butyronitrile 92.89
    3,7-dimethyl-1-octanol 70.38
    1-chlorooctane 28.45
    1-chlorotetradecane 14.08
    n-nonane 6.69
    undecane 5.92
    tert-butylcyclohexane 7.57
    cyclooctane 4.56
    cyclopentanol 192.37
    tetrahydropyran 206.23
    tert-amyl methyl ether 55.76
    2,5,8-trioxanonane 267.75
    1-hexene 21.7
    2-isopropoxyethanol 123.98
    2,2,2-trifluoroethanol 91.76
    methyl butyrate 96.11

    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