2-Ethyldihydro-3(2H)-thiophenone

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  • Identifiers

    CAS number
    52662-38-1

    Molecular formula
    C6H10OS

    SMILES
    CCC1C(=O)CCS1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 53.85%
    Green 52.13%
    Meaty 49.81%
    Fruity 48.97%
    Roasted 48.14%
    Onion 45.12%
    Vegetable 39.41%
    Tropical 38.03%
    Nutty 37.43%
    Alliaceous 35.68%

     

    Flavor
    Green 56.77%
    Vegetable 44.13%
    Onion 41.52%
    Fruity 39.78%
    Garlic 37.35%
    Roasted 35.44%
    Meaty 34.7%
    Sulfurous 34.41%
    Nutty 33.11%
    Sulfury 31.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.1 (neutral)

    Molecular weight
    130.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    210°C

    Flash point

    • 82.26 ˚C est.

  • Synonyms

    • 2-Ethyldihydro-3(2H)-thiophenone
    • 2-ethylthiolan-3-one
    • 52662-38-1
    • RefChem:86959
    • 3(2H)-Thiophenone, 2-ethyldihydro-
    • 4,5-Dihydro-2-ethylthiophen-3(2H)-one
    • Thiophen-3(2H)-one, 2-ethyl-4,5-dihydro
    • 2-Ethyltetrahydrothiophen-3-one
    • SCHEMBL27536391
    • CHEBI:193632
    • KNYBAJCQHFBMOP-UHFFFAOYSA-N
    • DTXSID501302579
    • 2-Ethyldihydro-3(2H)-thiophenone #
    • 52662-38-1

  • Applications

    2-Ethyldihydro-3(2H)-thiophenone (CAS 52662-38-1) is typically encountered as a synthetic intermediate with potential use as a fragrance-related ingredient. In perfumery and cosmetics, it may serve as an odorant or fragrance intermediate in formulations. It can also be evaluated as a building block for further organic synthesis in industrial manufacturing and as a precursor for specialty polymers, coatings resins, or adhesive systems. Additionally, it may be considered for use in formulations for household cleaners where fragrance components are involved, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1022.4
    methanol 1406.39
    isopropanol 603.01
    water 5.2
    ethyl acetate 1046.3
    n-propanol 696.07
    acetone 1721.54
    n-butanol 588.82
    acetonitrile 1534.37
    DMF 1403.26
    toluene 757.73
    isobutanol 463.71
    1,4-dioxane 2031.47
    methyl acetate 1025.31
    THF 2133.94
    2-butanone 1097.91
    n-pentanol 468.35
    sec-butanol 450.52
    n-hexane 62.59
    ethylene glycol 245.03
    NMP 1640.72
    cyclohexane 166.06
    DMSO 1679.71
    n-butyl acetate 905.69
    n-octanol 338.87
    chloroform 4310.04
    n-propyl acetate 684.56
    acetic acid 1752.8
    dichloromethane 3561.51
    cyclohexanone 1934.93
    propylene glycol 234.27
    isopropyl acetate 649.11
    DMAc 846.74
    2-ethoxyethanol 816.43
    isopentanol 500.47
    n-heptane 65.41
    ethyl formate 798.2
    1,2-dichloroethane 1668.17
    n-hexanol 513.37
    2-methoxyethanol 1204.86
    isobutyl acetate 431.24
    tetrachloromethane 674.99
    n-pentyl acetate 634.94
    transcutol 3817.87
    n-heptanol 275.68
    ethylbenzene 295.01
    MIBK 566.38
    2-propoxyethanol 964.81
    tert-butanol 582.2
    MTBE 559.13
    2-butoxyethanol 606.22
    propionic acid 825.51
    o-xylene 365.24
    formic acid 692.42
    diethyl ether 770.95
    m-xylene 440.13
    p-xylene 381.04
    chlorobenzene 1435.85
    dimethyl carbonate 339.76
    n-octane 31.57
    formamide 935.6
    cyclopentanone 2064.59
    2-pentanone 886.22
    anisole 772.88
    cyclopentyl methyl ether 932.0
    gamma-butyrolactone 2319.59
    1-methoxy-2-propanol 752.72
    pyridine 2238.11
    3-pentanone 596.72
    furfural 2529.36
    n-dodecane 30.12
    diethylene glycol 762.85
    diisopropyl ether 244.38
    tert-amyl alcohol 430.85
    acetylacetone 1284.54
    n-hexadecane 35.58
    acetophenone 716.41
    methyl propionate 674.7
    isopentyl acetate 722.19
    trichloroethylene 3907.41
    n-nonanol 282.67
    cyclohexanol 705.67
    benzyl alcohol 610.33
    2-ethylhexanol 310.29
    isooctanol 231.88
    dipropyl ether 395.29
    1,2-dichlorobenzene 1221.85
    ethyl lactate 277.06
    propylene carbonate 1202.7
    n-methylformamide 1002.56
    2-pentanol 365.93
    n-pentane 67.07
    1-propoxy-2-propanol 641.14
    1-methoxy-2-propyl acetate 799.03
    2-(2-methoxypropoxy) propanol 570.03
    mesitylene 275.54
    ε-caprolactone 1556.08
    p-cymene 207.04
    epichlorohydrin 2288.35
    1,1,1-trichloroethane 1838.89
    2-aminoethanol 444.27
    morpholine-4-carbaldehyde 1917.44
    sulfolane 2009.25
    2,2,4-trimethylpentane 41.26
    2-methyltetrahydrofuran 1554.93
    n-hexyl acetate 815.03
    isooctane 41.33
    2-(2-butoxyethoxy)ethanol 888.4
    sec-butyl acetate 448.53
    tert-butyl acetate 691.89
    decalin 80.63
    glycerin 383.04
    diglyme 1697.38
    acrylic acid 876.55
    isopropyl myristate 287.07
    n-butyric acid 1138.27
    acetyl acetate 824.13
    di(2-ethylhexyl) phthalate 270.55
    ethyl propionate 474.92
    nitromethane 2533.17
    1,2-diethoxyethane 1102.8
    benzonitrile 1306.21
    trioctyl phosphate 183.2
    1-bromopropane 825.86
    gamma-valerolactone 2563.32
    n-decanol 193.57
    triethyl phosphate 238.96
    4-methyl-2-pentanol 244.66
    propionitrile 892.94
    vinylene carbonate 1316.89
    1,1,2-trichlorotrifluoroethane 1368.79
    DMS 620.71
    cumene 200.87
    2-octanol 212.81
    2-hexanone 661.23
    octyl acetate 350.7
    limonene 308.77
    1,2-dimethoxyethane 1191.51
    ethyl orthosilicate 238.99
    tributyl phosphate 258.72
    diacetone alcohol 640.13
    N,N-dimethylaniline 415.95
    acrylonitrile 1298.03
    aniline 901.24
    1,3-propanediol 610.78
    bromobenzene 1548.63
    dibromomethane 2112.82
    1,1,2,2-tetrachloroethane 2288.57
    2-methyl-cyclohexyl acetate 438.91
    tetrabutyl urea 308.95
    diisobutyl methanol 210.06
    2-phenylethanol 603.01
    styrene 488.13
    dioctyl adipate 381.8
    dimethyl sulfate 508.21
    ethyl butyrate 547.2
    methyl lactate 337.51
    butyl lactate 425.43
    diethyl carbonate 357.75
    propanediol butyl ether 625.76
    triethyl orthoformate 384.23
    p-tert-butyltoluene 196.1
    methyl 4-tert-butylbenzoate 536.73
    morpholine 1868.09
    tert-butylamine 384.27
    n-dodecanol 141.6
    dimethoxymethane 840.96
    ethylene carbonate 1036.59
    cyrene 528.2
    2-ethoxyethyl acetate 977.45
    2-ethylhexyl acetate 536.3
    1,2,4-trichlorobenzene 1341.37
    4-methylpyridine 1936.69
    dibutyl ether 446.21
    2,6-dimethyl-4-heptanol 210.06
    DEF 862.62
    dimethyl isosorbide 970.57
    tetrachloroethylene 1691.35
    eugenol 575.86
    triacetin 722.11
    span 80 534.88
    1,4-butanediol 286.52
    1,1-dichloroethane 1800.55
    2-methyl-1-pentanol 407.07
    methyl formate 841.5
    2-methyl-1-butanol 442.37
    n-decane 52.51
    butyronitrile 981.43
    3,7-dimethyl-1-octanol 318.68
    1-chlorooctane 260.01
    1-chlorotetradecane 96.72
    n-nonane 50.54
    undecane 37.46
    tert-butylcyclohexane 70.3
    cyclooctane 52.14
    cyclopentanol 742.91
    tetrahydropyran 1535.42
    tert-amyl methyl ether 395.22
    2,5,8-trioxanonane 1027.53
    1-hexene 261.33
    2-isopropoxyethanol 575.36
    2,2,2-trifluoroethanol 569.45
    methyl butyrate 672.97

    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