Ethyl thiobutyrate

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  • Identifiers

    CAS number
    924-74-3

    Molecular formula
    C6H12OS

    SMILES
    CCCC(=S)OCC

  • Odor profile

    Fragrance
    Fruity 93.51%
    Cheesy 67.18%
    Sulfurous 65.58%
    Tropical 64.83%
    Pineapple 45.71%
    Ripe 43.73%
    Sweet 34.28%
    Grape 30.59%
    Dairy 29.42%
    Vegetable 27.94%

     

    Flavor
    Fruity 88.02%
    Pineapple 72.45%
    Sweet 68.88%
    Fruit 54.44%
    Banana 46.05%
    Apple 45.47%
    Ether 39.77%
    Ethereal 36.3%
    Tropical 36.22%
    Green 36.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    10.26 (weak base)

    Molecular weight
    132.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 28.91 ˚C est.

  • Synonyms

    • ethyl thiobutyrate
    • O-ethyl butanethioate
    • 924-74-3
    • SCHEMBL1359007
    • AKOS006288002

  • Applications

    Ethyl thiobutyrate (CAS 924-74-3) is primarily employed as an intermediate in organic synthesis, notably for preparing sulfur-containing esters and related compounds. In perfumery and cosmetics, it may serve as an odorant or aroma precursor contributing sulfur notes. In the flavor industry it is commonly evaluated as a potential aroma ingredient or building block for flavor systems. In industrial manufacturing it can act as a reactive reagent or processing solvent for synthesis steps. In coatings, inks and adhesives, it may be used as a specialty reagent or processing additive to modify properties or to introduce sulfur-containing functionalities into formulations. In pharmaceutical and agrochemical R&D it is frequently used as a chemistry intermediate for constructing more complex molecules. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 789.79
    methanol 1021.6
    isopropanol 665.68
    water 2.32
    ethyl acetate 1014.44
    n-propanol 643.05
    acetone 1801.1
    n-butanol 657.64
    acetonitrile 1451.24
    DMF 1964.86
    toluene 705.26
    isobutanol 533.8
    1,4-dioxane 1772.98
    methyl acetate 1046.27
    THF 2201.62
    2-butanone 1188.65
    n-pentanol 560.01
    sec-butanol 636.99
    n-hexane 289.13
    ethylene glycol 244.07
    NMP 1981.09
    cyclohexane 678.63
    DMSO 2270.57
    n-butyl acetate 1094.03
    n-octanol 515.32
    chloroform 3076.77
    n-propyl acetate 774.96
    acetic acid 1357.22
    dichloromethane 3082.62
    cyclohexanone 2049.66
    propylene glycol 270.1
    isopropyl acetate 581.85
    DMAc 1414.65
    2-ethoxyethanol 756.85
    isopentanol 529.28
    n-heptane 378.21
    ethyl formate 743.09
    1,2-dichloroethane 1738.74
    n-hexanol 744.93
    2-methoxyethanol 1109.14
    isobutyl acetate 493.39
    tetrachloromethane 773.04
    n-pentyl acetate 651.93
    transcutol 1993.82
    n-heptanol 352.0
    ethylbenzene 446.47
    MIBK 533.0
    2-propoxyethanol 1019.51
    tert-butanol 832.93
    MTBE 781.79
    2-butoxyethanol 515.55
    propionic acid 750.3
    o-xylene 519.98
    formic acid 280.37
    diethyl ether 981.76
    m-xylene 478.52
    p-xylene 642.37
    chlorobenzene 1189.66
    dimethyl carbonate 388.35
    n-octane 142.37
    formamide 393.53
    cyclopentanone 2026.25
    2-pentanone 957.17
    anisole 833.95
    cyclopentyl methyl ether 1073.42
    gamma-butyrolactone 1959.59
    1-methoxy-2-propanol 816.39
    pyridine 1556.18
    3-pentanone 870.6
    furfural 1910.64
    n-dodecane 125.68
    diethylene glycol 740.65
    diisopropyl ether 324.95
    tert-amyl alcohol 720.36
    acetylacetone 1193.59
    n-hexadecane 143.47
    acetophenone 845.31
    methyl propionate 760.81
    isopentyl acetate 821.05
    trichloroethylene 3001.61
    n-nonanol 435.26
    cyclohexanol 943.31
    benzyl alcohol 599.52
    2-ethylhexanol 559.96
    isooctanol 288.17
    dipropyl ether 856.74
    1,2-dichlorobenzene 1135.97
    ethyl lactate 344.82
    propylene carbonate 1085.15
    n-methylformamide 814.09
    2-pentanol 461.02
    n-pentane 269.32
    1-propoxy-2-propanol 798.76
    1-methoxy-2-propyl acetate 831.37
    2-(2-methoxypropoxy) propanol 632.88
    mesitylene 358.68
    ε-caprolactone 1404.15
    p-cymene 412.33
    epichlorohydrin 1835.1
    1,1,1-trichloroethane 1943.19
    2-aminoethanol 370.41
    morpholine-4-carbaldehyde 1854.01
    sulfolane 2309.28
    2,2,4-trimethylpentane 131.31
    2-methyltetrahydrofuran 1624.63
    n-hexyl acetate 981.15
    isooctane 97.28
    2-(2-butoxyethoxy)ethanol 815.71
    sec-butyl acetate 486.24
    tert-butyl acetate 657.0
    decalin 250.52
    glycerin 392.99
    diglyme 1592.88
    acrylic acid 737.59
    isopropyl myristate 451.25
    n-butyric acid 930.62
    acetyl acetate 788.45
    di(2-ethylhexyl) phthalate 375.03
    ethyl propionate 644.81
    nitromethane 2094.73
    1,2-diethoxyethane 1060.41
    benzonitrile 1125.86
    trioctyl phosphate 293.05
    1-bromopropane 1150.04
    gamma-valerolactone 2099.18
    n-decanol 342.25
    triethyl phosphate 415.5
    4-methyl-2-pentanol 260.87
    propionitrile 966.23
    vinylene carbonate 1137.39
    1,1,2-trichlorotrifluoroethane 1294.7
    DMS 706.13
    cumene 323.42
    2-octanol 323.0
    2-hexanone 841.91
    octyl acetate 530.12
    limonene 678.7
    1,2-dimethoxyethane 1666.77
    ethyl orthosilicate 385.34
    tributyl phosphate 389.93
    diacetone alcohol 597.36
    N,N-dimethylaniline 576.34
    acrylonitrile 1176.37
    aniline 685.12
    1,3-propanediol 536.22
    bromobenzene 1349.96
    dibromomethane 2230.24
    1,1,2,2-tetrachloroethane 2363.35
    2-methyl-cyclohexyl acetate 669.03
    tetrabutyl urea 521.36
    diisobutyl methanol 335.63
    2-phenylethanol 645.65
    styrene 615.89
    dioctyl adipate 622.73
    dimethyl sulfate 662.4
    ethyl butyrate 842.27
    methyl lactate 389.5
    butyl lactate 446.35
    diethyl carbonate 606.27
    propanediol butyl ether 522.17
    triethyl orthoformate 561.37
    p-tert-butyltoluene 384.67
    methyl 4-tert-butylbenzoate 641.47
    morpholine 1589.93
    tert-butylamine 584.67
    n-dodecanol 290.89
    dimethoxymethane 1049.83
    ethylene carbonate 881.64
    cyrene 600.67
    2-ethoxyethyl acetate 732.02
    2-ethylhexyl acetate 698.65
    1,2,4-trichlorobenzene 1305.09
    4-methylpyridine 1556.03
    dibutyl ether 803.3
    2,6-dimethyl-4-heptanol 335.63
    DEF 1155.15
    dimethyl isosorbide 1127.09
    tetrachloroethylene 1615.6
    eugenol 618.08
    triacetin 883.38
    span 80 625.18
    1,4-butanediol 308.77
    1,1-dichloroethane 1745.51
    2-methyl-1-pentanol 483.59
    methyl formate 727.23
    2-methyl-1-butanol 537.3
    n-decane 196.86
    butyronitrile 996.13
    3,7-dimethyl-1-octanol 494.5
    1-chlorooctane 558.03
    1-chlorotetradecane 262.39
    n-nonane 209.68
    undecane 150.29
    tert-butylcyclohexane 218.61
    cyclooctane 226.15
    cyclopentanol 968.44
    tetrahydropyran 1750.82
    tert-amyl methyl ether 622.22
    2,5,8-trioxanonane 1171.53
    1-hexene 611.56
    2-isopropoxyethanol 530.56
    2,2,2-trifluoroethanol 363.41
    methyl butyrate 884.71

    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