Pentanethioic acid, S-ethyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2432-92-0

    Molecular formula
    C7H14OS

    SMILES
    CCCCC(=O)SCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 83.83%
    Sulfurous 77.26%
    Tropical 76.81%
    Cheesy 60.1%
    Green 55.01%
    Vegetable 48.6%
    Onion 36.57%
    Pineapple 33.07%
    Black currant 32.26%
    Ripe 31.31%

     

    Flavor
    Sulfury 51.74%
    Fruity 50.86%
    Green 46.87%
    Sulfurous 43.7%
    Onion 42.2%
    Cheese 39.86%
    Garlic 38.35%
    Tropical 37.83%
    Tomato 35.62%
    Cabbage 32.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.04 (weak base)

    Molecular weight
    146.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 67.55 ˚C est.

  • Synonyms

    • Pentanethioic acid, S-ethyl ester
    • Valeric acid, thio-, S-ethyl ester
    • 2432-92-0
    • DTXSID60334252
    • RefChem:368155
    • DTXCID70285342
    • CGRFTVFWSJEHCI-UHFFFAOYSA-N
    • S-Ethyl pentanethioate
    • S-Ethyl pentanethioate #
    • SCHEMBL2257994
    • SCHEMBL2257997
    • 2432-92-0

  • Applications

    Pentanethioic acid, S-ethyl ester (CAS 2432-92-0) is primarily used as an intermediate in organic synthesis, enabling thioester formation and acyl-transfer reactions. It also serves as a key precursor in the synthesis of thioester-containing compounds for pharmaceutical and agrochemical applications, and as a building block for specialty polymers and coating formulations where the thiol-ester functionality can influence crosslinking and performance. Additionally, it is employed as a reactive intermediate in coatings, inks, and adhesive formulations to tune adhesion and chemical resistance, and it is commonly evaluated in exploratory R&D programs as a starting point for thioester chemistry in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3283.22
    methanol 3458.75
    isopropanol 3149.15
    water 2.41
    ethyl acetate 1639.65
    n-propanol 2819.51
    acetone 3309.66
    n-butanol 2580.17
    acetonitrile 2752.14
    DMF 3970.92
    toluene 1350.42
    isobutanol 2243.53
    1,4-dioxane 3432.66
    methyl acetate 1734.13
    THF 3683.35
    2-butanone 2447.81
    n-pentanol 1879.82
    sec-butanol 2765.92
    n-hexane 729.35
    ethylene glycol 497.6
    NMP 3005.71
    cyclohexane 1222.89
    DMSO 3021.33
    n-butyl acetate 2421.71
    n-octanol 1320.06
    chloroform 7439.14
    n-propyl acetate 1474.93
    acetic acid 2711.25
    dichloromethane 5129.42
    cyclohexanone 4328.0
    propylene glycol 840.46
    isopropyl acetate 1026.31
    DMAc 1965.14
    2-ethoxyethanol 1556.8
    isopentanol 2004.57
    n-heptane 496.79
    ethyl formate 1586.17
    1,2-dichloroethane 2962.12
    n-hexanol 2324.48
    2-methoxyethanol 2492.6
    isobutyl acetate 946.08
    tetrachloromethane 1341.83
    n-pentyl acetate 1508.04
    transcutol 3910.68
    n-heptanol 1156.56
    ethylbenzene 900.82
    MIBK 1032.24
    2-propoxyethanol 2333.04
    tert-butanol 2892.24
    MTBE 2022.39
    2-butoxyethanol 1466.91
    propionic acid 2097.86
    o-xylene 788.82
    formic acid 585.84
    diethyl ether 2000.84
    m-xylene 804.51
    p-xylene 1169.73
    chlorobenzene 2334.77
    dimethyl carbonate 450.27
    n-octane 235.02
    formamide 810.2
    cyclopentanone 3732.33
    2-pentanone 1901.69
    anisole 1383.45
    cyclopentyl methyl ether 1911.77
    gamma-butyrolactone 3431.59
    1-methoxy-2-propanol 1873.72
    pyridine 4077.92
    3-pentanone 1268.02
    furfural 3326.7
    n-dodecane 160.72
    diethylene glycol 1308.85
    diisopropyl ether 570.6
    tert-amyl alcohol 2254.55
    acetylacetone 1546.74
    n-hexadecane 186.21
    acetophenone 1362.67
    methyl propionate 1115.45
    isopentyl acetate 1893.61
    trichloroethylene 5908.59
    n-nonanol 1059.44
    cyclohexanol 2911.56
    benzyl alcohol 1334.94
    2-ethylhexanol 1462.35
    isooctanol 930.7
    dipropyl ether 1283.73
    1,2-dichlorobenzene 1812.15
    ethyl lactate 605.73
    propylene carbonate 2024.6
    n-methylformamide 1938.29
    2-pentanol 1835.55
    n-pentane 552.09
    1-propoxy-2-propanol 1899.2
    1-methoxy-2-propyl acetate 1270.35
    2-(2-methoxypropoxy) propanol 1047.2
    mesitylene 561.48
    ε-caprolactone 3054.08
    p-cymene 600.66
    epichlorohydrin 3170.95
    1,1,1-trichloroethane 3619.91
    2-aminoethanol 1119.32
    morpholine-4-carbaldehyde 2782.07
    sulfolane 3648.6
    2,2,4-trimethylpentane 217.78
    2-methyltetrahydrofuran 3317.81
    n-hexyl acetate 2065.05
    isooctane 180.31
    2-(2-butoxyethoxy)ethanol 1523.98
    sec-butyl acetate 927.78
    tert-butyl acetate 1129.51
    decalin 390.61
    glycerin 901.46
    diglyme 2650.1
    acrylic acid 1815.86
    isopropyl myristate 703.52
    n-butyric acid 2956.77
    acetyl acetate 965.45
    di(2-ethylhexyl) phthalate 579.05
    ethyl propionate 962.67
    nitromethane 3281.17
    1,2-diethoxyethane 1844.49
    benzonitrile 2659.01
    trioctyl phosphate 471.81
    1-bromopropane 2301.29
    gamma-valerolactone 3946.54
    n-decanol 744.8
    triethyl phosphate 517.34
    4-methyl-2-pentanol 837.54
    propionitrile 2341.13
    vinylene carbonate 2085.93
    1,1,2-trichlorotrifluoroethane 2197.64
    DMS 939.82
    cumene 564.41
    2-octanol 1029.7
    2-hexanone 1841.96
    octyl acetate 879.41
    limonene 1022.98
    1,2-dimethoxyethane 2838.71
    ethyl orthosilicate 527.29
    tributyl phosphate 606.96
    diacetone alcohol 1213.7
    N,N-dimethylaniline 898.09
    acrylonitrile 2613.89
    aniline 1611.78
    1,3-propanediol 1682.84
    bromobenzene 2548.36
    dibromomethane 3906.03
    1,1,2,2-tetrachloroethane 4664.39
    2-methyl-cyclohexyl acetate 1016.4
    tetrabutyl urea 814.25
    diisobutyl methanol 780.14
    2-phenylethanol 1351.1
    styrene 1311.5
    dioctyl adipate 888.53
    dimethyl sulfate 709.27
    ethyl butyrate 1250.92
    methyl lactate 634.61
    butyl lactate 1071.75
    diethyl carbonate 837.01
    propanediol butyl ether 1549.15
    triethyl orthoformate 872.44
    p-tert-butyltoluene 564.5
    methyl 4-tert-butylbenzoate 1035.91
    morpholine 3974.38
    tert-butylamine 2114.08
    n-dodecanol 546.0
    dimethoxymethane 1328.59
    ethylene carbonate 1697.43
    cyrene 835.52
    2-ethoxyethyl acetate 1328.74
    2-ethylhexyl acetate 1462.94
    1,2,4-trichlorobenzene 1999.7
    4-methylpyridine 3864.41
    dibutyl ether 1578.68
    2,6-dimethyl-4-heptanol 780.14
    DEF 2102.5
    dimethyl isosorbide 1499.25
    tetrachloroethylene 3154.82
    eugenol 1136.38
    triacetin 1243.03
    span 80 1266.22
    1,4-butanediol 807.34
    1,1-dichloroethane 3845.26
    2-methyl-1-pentanol 1487.3
    methyl formate 1374.14
    2-methyl-1-butanol 2002.08
    n-decane 307.77
    butyronitrile 3133.22
    3,7-dimethyl-1-octanol 1149.36
    1-chlorooctane 1001.79
    1-chlorotetradecane 356.94
    n-nonane 345.76
    undecane 211.69
    tert-butylcyclohexane 350.94
    cyclooctane 321.38
    cyclopentanol 2684.62
    tetrahydropyran 4223.42
    tert-amyl methyl ether 1303.49
    2,5,8-trioxanonane 1598.04
    1-hexene 1956.71
    2-isopropoxyethanol 1155.9
    2,2,2-trifluoroethanol 661.88
    methyl butyrate 1699.46

    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