O-ethyl but-2-enethioate

  • Identifiers

    Molecular formula
    C6H10OS

    SMILES
    CCOC(=S)C=CC

  • Odor profile

    Fragrance
    Fruity 90.08%
    Sulfurous 69.5%
    Sweet 61.09%
    Tropical 53.26%
    Pineapple 40.63%
    Onion 39.93%
    Cheesy 38.44%
    Grape 34.56%
    Meaty 32.91%
    Pungent 32.75%

     

    Flavor
    Pungent 34.38%
    Fruity 33.67%
    Ethereal 24.98%
    Spicy 21.59%
    Nutty 21.2%
    Filbert 19.7%
    Matches 19.44%
    Caramel 19.4%
    Butter 19.36%
    Mustard 19.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    10.09 (weak base)

    Molecular weight
    130.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point

    • 32.9 ˚C est.

  • Applications

    O-ethyl but-2-enethioate is a vinyl thioester that is used as an intermediate in organic synthesis. In practice, it serves as a building block for sulfur-containing intermediates in pharmaceutical and agrochemical development. Its vinyl functionality also makes it suitable as a monomer or functional additive in polymer and plastic formulations. It can be employed in coatings and inks as a reactive component or precursor for functionalized formulations. Additionally, it may be explored as an intermediate in the production of specialty chemicals for electronics and other industrial applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 387.22
    methanol 441.33
    isopropanol 319.27
    water 1.43
    ethyl acetate 672.06
    n-propanol 318.76
    acetone 1200.09
    n-butanol 324.46
    acetonitrile 920.94
    DMF 1507.21
    toluene 455.33
    isobutanol 258.29
    1,4-dioxane 1059.9
    methyl acetate 711.9
    THF 1389.35
    2-butanone 759.35
    n-pentanol 290.96
    sec-butanol 320.85
    n-hexane 163.51
    ethylene glycol 159.13
    NMP 1506.87
    cyclohexane 367.58
    DMSO 1723.66
    n-butyl acetate 623.63
    n-octanol 286.92
    chloroform 1734.45
    n-propyl acetate 488.71
    acetic acid 737.81
    dichloromethane 1950.11
    cyclohexanone 1183.68
    propylene glycol 160.33
    isopropyl acetate 387.1
    DMAc 1096.47
    2-ethoxyethanol 436.36
    isopentanol 265.98
    n-heptane 208.87
    ethyl formate 479.56
    1,2-dichloroethane 1165.65
    n-hexanol 373.49
    2-methoxyethanol 647.78
    isobutyl acetate 302.31
    tetrachloromethane 425.86
    n-pentyl acetate 368.98
    transcutol 1232.69
    n-heptanol 191.25
    ethylbenzene 308.89
    MIBK 352.57
    2-propoxyethanol 570.71
    tert-butanol 450.62
    MTBE 457.46
    2-butoxyethanol 302.6
    propionic acid 422.71
    o-xylene 357.91
    formic acid 156.31
    diethyl ether 575.57
    m-xylene 329.29
    p-xylene 411.3
    chlorobenzene 745.93
    dimethyl carbonate 349.63
    n-octane 87.8
    formamide 263.48
    cyclopentanone 1333.69
    2-pentanone 635.71
    anisole 611.71
    cyclopentyl methyl ether 668.86
    gamma-butyrolactone 1288.29
    1-methoxy-2-propanol 495.52
    pyridine 950.92
    3-pentanone 603.23
    furfural 1277.85
    n-dodecane 86.3
    diethylene glycol 481.96
    diisopropyl ether 206.8
    tert-amyl alcohol 385.88
    acetylacetone 898.24
    n-hexadecane 96.41
    acetophenone 585.85
    methyl propionate 568.36
    isopentyl acetate 471.81
    trichloroethylene 2023.39
    n-nonanol 249.64
    cyclohexanol 456.41
    benzyl alcohol 385.64
    2-ethylhexanol 309.24
    isooctanol 164.8
    dipropyl ether 521.72
    1,2-dichlorobenzene 761.1
    ethyl lactate 249.77
    propylene carbonate 726.8
    n-methylformamide 573.26
    2-pentanol 240.28
    n-pentane 149.61
    1-propoxy-2-propanol 463.92
    1-methoxy-2-propyl acetate 581.31
    2-(2-methoxypropoxy) propanol 431.84
    mesitylene 258.28
    ε-caprolactone 835.47
    p-cymene 273.64
    epichlorohydrin 1253.24
    1,1,1-trichloroethane 1254.29
    2-aminoethanol 206.48
    morpholine-4-carbaldehyde 1312.42
    sulfolane 1723.43
    2,2,4-trimethylpentane 79.47
    2-methyltetrahydrofuran 925.58
    n-hexyl acetate 560.33
    isooctane 62.8
    2-(2-butoxyethoxy)ethanol 531.25
    sec-butyl acetate 315.46
    tert-butyl acetate 439.92
    decalin 168.43
    glycerin 244.69
    diglyme 1077.78
    acrylic acid 460.88
    isopropyl myristate 287.23
    n-butyric acid 502.46
    acetyl acetate 565.22
    di(2-ethylhexyl) phthalate 252.96
    ethyl propionate 463.5
    nitromethane 1387.14
    1,2-diethoxyethane 651.26
    benzonitrile 668.64
    trioctyl phosphate 191.42
    1-bromopropane 698.94
    gamma-valerolactone 1325.24
    n-decanol 206.66
    triethyl phosphate 299.58
    4-methyl-2-pentanol 142.81
    propionitrile 564.95
    vinylene carbonate 776.02
    1,1,2-trichlorotrifluoroethane 889.56
    DMS 545.24
    cumene 228.67
    2-octanol 170.74
    2-hexanone 511.7
    octyl acetate 346.47
    limonene 433.98
    1,2-dimethoxyethane 1077.48
    ethyl orthosilicate 277.65
    tributyl phosphate 251.89
    diacetone alcohol 421.48
    N,N-dimethylaniline 437.39
    acrylonitrile 733.87
    aniline 426.54
    1,3-propanediol 281.93
    bromobenzene 853.22
    dibromomethane 1369.07
    1,1,2,2-tetrachloroethane 1535.3
    2-methyl-cyclohexyl acetate 437.54
    tetrabutyl urea 354.85
    diisobutyl methanol 205.84
    2-phenylethanol 411.4
    styrene 431.43
    dioctyl adipate 418.08
    dimethyl sulfate 614.12
    ethyl butyrate 555.18
    methyl lactate 300.36
    butyl lactate 269.08
    diethyl carbonate 437.06
    propanediol butyl ether 307.57
    triethyl orthoformate 382.59
    p-tert-butyltoluene 261.12
    methyl 4-tert-butylbenzoate 450.73
    morpholine 920.84
    tert-butylamine 310.65
    n-dodecanol 183.87
    dimethoxymethane 799.32
    ethylene carbonate 584.98
    cyrene 452.85
    2-ethoxyethyl acetate 456.81
    2-ethylhexyl acetate 421.52
    1,2,4-trichlorobenzene 873.07
    4-methylpyridine 921.81
    dibutyl ether 467.77
    2,6-dimethyl-4-heptanol 205.84
    DEF 782.54
    dimethyl isosorbide 807.5
    tetrachloroethylene 1009.24
    eugenol 435.07
    triacetin 596.23
    span 80 403.09
    1,4-butanediol 170.34
    1,1-dichloroethane 1084.95
    2-methyl-1-pentanol 262.48
    methyl formate 543.69
    2-methyl-1-butanol 271.86
    n-decane 122.38
    butyronitrile 554.81
    3,7-dimethyl-1-octanol 288.04
    1-chlorooctane 345.41
    1-chlorotetradecane 179.1
    n-nonane 128.53
    undecane 98.86
    tert-butylcyclohexane 141.16
    cyclooctane 138.85
    cyclopentanol 506.3
    tetrahydropyran 939.93
    tert-amyl methyl ether 378.87
    2,5,8-trioxanonane 837.51
    1-hexene 329.09
    2-isopropoxyethanol 330.74
    2,2,2-trifluoroethanol 241.71
    methyl butyrate 580.63

    Scent© AI

1 of 3
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