1-Propene-1-one, 3-(ethylthio)-

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  • Identifiers

    CAS number
    5296-62-8

    Molecular formula
    C5H10S

    SMILES
    CCSCC=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Onion 81.08%
    Sulfurous 80.04%
    Garlic 79.7%
    Alliaceous 65.27%
    Pungent 49.36%
    Meaty 48.77%
    Savory 47.59%
    Cooked 43.34%
    Cabbage 40.7%
    Radish 39.71%

     

    Flavor
    Onion 79.2%
    Garlic 74.58%
    Sulfurous 58.82%
    Green 52.13%
    Alliaceous 49.74%
    Metallic 38.96%
    Cabbage 35.14%
    Horseradish 31.06%
    Vegetable 31.0%
    Sulfury 30.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.79 (neutral)

    Molecular weight
    102.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    122°C

    Flash point

    • 10.41 ˚C est.

  • Synonyms

    • Allyl ethyl sulfide
    • 5296-62-8
    • 1-Propene-1-one, 3-(ethylthio)-
    • DTXSID10201001
    • RefChem:436437
    • DTXCID70123492
    • 633-415-6
    • 3-ethylsulfanylprop-1-ene
    • 3-(ethylsulfanyl)prop-1-ene
    • 4-thia-1-hexene
    • Allyl ethyl sulphide
    • MFCD00026979
    • 3-Ethylthio-1-propene
    • CH2=CHCH2SC2H5
    • SCHEMBL345847
    • SCHEMBL345848
    • SCHEMBL576607
    • SCHEMBL10358364
    • SCHEMBL10879897
    • NOJXPGXFDASWEI-UHFFFAOYSA-N
    • AKOS006228795
    • DB-052225
    • EN300-1842242
    • 5296-62-8

  • Applications

    1-Propene-1-one, 3-(ethylthio)- (CAS 5296-62-8) is primarily used as an organic synthesis intermediate in chemical manufacturing, enabling the preparation of sulfur-containing enone compounds for pharmaceuticals, agricultural chemicals, and specialty chemistries; it is also considered a building block or precursor in fragrance applications, evaluated as an odorant or fragrance intermediate; in polymer and coating applications, the enone-thioether motif can serve as a monomer or precursor for sulfur-containing polymers and coating formulations; it may participate in adhesive formulations as part of crosslinking or functional intermediates in formulation chemistry; and it can function as an intermediate in pharmaceutical and agrochemical development, with actual use depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 344.5
    methanol 212.43
    isopropanol 345.47
    water 0.12
    ethyl acetate 505.03
    n-propanol 360.74
    acetone 739.02
    n-butanol 446.0
    acetonitrile 321.18
    DMF 429.05
    toluene 394.07
    isobutanol 296.94
    1,4-dioxane 882.56
    methyl acetate 384.51
    THF 1640.26
    2-butanone 627.14
    n-pentanol 279.53
    sec-butanol 363.92
    n-hexane 243.19
    ethylene glycol 45.64
    NMP 584.98
    cyclohexane 446.27
    DMSO 761.59
    n-butyl acetate 1010.76
    n-octanol 269.27
    chloroform 949.09
    n-propyl acetate 339.03
    acetic acid 251.28
    dichloromethane 738.58
    cyclohexanone 1133.56
    propylene glycol 91.94
    isopropyl acetate 345.18
    DMAc 334.85
    2-ethoxyethanol 278.57
    isopentanol 348.32
    n-heptane 466.58
    ethyl formate 239.43
    1,2-dichloroethane 513.14
    n-hexanol 712.51
    2-methoxyethanol 385.94
    isobutyl acetate 243.84
    tetrachloromethane 321.43
    n-pentyl acetate 363.63
    transcutol 983.98
    n-heptanol 263.72
    ethylbenzene 173.21
    MIBK 355.75
    2-propoxyethanol 670.1
    tert-butanol 468.33
    MTBE 534.82
    2-butoxyethanol 302.9
    propionic acid 265.91
    o-xylene 235.32
    formic acid 32.28
    diethyl ether 681.15
    m-xylene 261.28
    p-xylene 206.56
    chlorobenzene 418.09
    dimethyl carbonate 100.59
    n-octane 122.89
    formamide 44.46
    cyclopentanone 1085.36
    2-pentanone 632.22
    anisole 264.65
    cyclopentyl methyl ether 821.96
    gamma-butyrolactone 756.0
    1-methoxy-2-propanol 386.58
    pyridine 641.65
    3-pentanone 443.2
    furfural 568.16
    n-dodecane 69.15
    diethylene glycol 292.86
    diisopropyl ether 256.82
    tert-amyl alcohol 395.95
    acetylacetone 516.39
    n-hexadecane 78.46
    acetophenone 239.5
    methyl propionate 314.33
    isopentyl acetate 668.35
    trichloroethylene 816.81
    n-nonanol 229.45
    cyclohexanol 556.69
    benzyl alcohol 186.43
    2-ethylhexanol 538.94
    isooctanol 211.65
    dipropyl ether 864.1
    1,2-dichlorobenzene 337.19
    ethyl lactate 127.05
    propylene carbonate 415.26
    n-methylformamide 163.68
    2-pentanol 348.31
    n-pentane 228.47
    1-propoxy-2-propanol 704.44
    1-methoxy-2-propyl acetate 514.03
    2-(2-methoxypropoxy) propanol 281.73
    mesitylene 191.26
    ε-caprolactone 717.73
    p-cymene 239.07
    epichlorohydrin 696.22
    1,1,1-trichloroethane 720.52
    2-aminoethanol 104.26
    morpholine-4-carbaldehyde 535.71
    sulfolane 906.27
    2,2,4-trimethylpentane 92.03
    2-methyltetrahydrofuran 1227.81
    n-hexyl acetate 441.26
    isooctane 85.67
    2-(2-butoxyethoxy)ethanol 391.09
    sec-butyl acetate 238.46
    tert-butyl acetate 395.94
    decalin 136.12
    glycerin 108.33
    diglyme 681.85
    acrylic acid 174.53
    isopropyl myristate 210.3
    n-butyric acid 509.66
    acetyl acetate 275.23
    di(2-ethylhexyl) phthalate 141.93
    ethyl propionate 258.12
    nitromethane 357.08
    1,2-diethoxyethane 700.09
    benzonitrile 320.06
    trioctyl phosphate 131.22
    1-bromopropane 603.71
    gamma-valerolactone 875.47
    n-decanol 177.49
    triethyl phosphate 176.04
    4-methyl-2-pentanol 192.77
    propionitrile 358.64
    vinylene carbonate 326.96
    1,1,2-trichlorotrifluoroethane 394.96
    DMS 221.58
    cumene 123.45
    2-octanol 202.42
    2-hexanone 434.81
    octyl acetate 238.15
    limonene 491.01
    1,2-dimethoxyethane 573.09
    ethyl orthosilicate 189.89
    tributyl phosphate 164.31
    diacetone alcohol 372.54
    N,N-dimethylaniline 181.39
    acrylonitrile 295.61
    aniline 299.36
    1,3-propanediol 195.52
    bromobenzene 482.95
    dibromomethane 672.35
    1,1,2,2-tetrachloroethane 691.14
    2-methyl-cyclohexyl acetate 356.34
    tetrabutyl urea 222.44
    diisobutyl methanol 295.69
    2-phenylethanol 316.65
    styrene 222.57
    dioctyl adipate 234.58
    dimethyl sulfate 164.77
    ethyl butyrate 565.79
    methyl lactate 129.24
    butyl lactate 228.95
    diethyl carbonate 269.13
    propanediol butyl ether 262.14
    triethyl orthoformate 353.4
    p-tert-butyltoluene 234.66
    methyl 4-tert-butylbenzoate 241.05
    morpholine 863.25
    tert-butylamine 331.85
    n-dodecanol 145.49
    dimethoxymethane 363.6
    ethylene carbonate 303.95
    cyrene 228.24
    2-ethoxyethyl acetate 347.04
    2-ethylhexyl acetate 586.19
    1,2,4-trichlorobenzene 370.55
    4-methylpyridine 611.73
    dibutyl ether 525.35
    2,6-dimethyl-4-heptanol 295.69
    DEF 464.49
    dimethyl isosorbide 509.17
    tetrachloroethylene 475.9
    eugenol 221.51
    triacetin 286.3
    span 80 314.83
    1,4-butanediol 83.62
    1,1-dichloroethane 632.18
    2-methyl-1-pentanol 242.79
    methyl formate 137.7
    2-methyl-1-butanol 331.57
    n-decane 120.26
    butyronitrile 497.81
    3,7-dimethyl-1-octanol 288.04
    1-chlorooctane 275.26
    1-chlorotetradecane 119.47
    n-nonane 138.42
    undecane 87.64
    tert-butylcyclohexane 127.7
    cyclooctane 178.35
    cyclopentanol 491.72
    tetrahydropyran 1327.85
    tert-amyl methyl ether 415.38
    2,5,8-trioxanonane 460.48
    1-hexene 463.2
    2-isopropoxyethanol 240.91
    2,2,2-trifluoroethanol 62.35
    methyl butyrate 352.54

    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