4-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one

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  • Identifiers

    CAS number
    71387-71-8

    Molecular formula
    C8H12O2

    SMILES
    CCC1CC(=O)C(=C1C)O

  • Odor profile

    Fragrance
    Caramellic 66.71%
    Sweet 65.31%
    Burnt 46.6%
    Spicy 40.2%
    Phenolic 38.24%
    Mint 32.56%
    Woody 30.12%
    Herbal 26.84%
    Malty 23.69%
    Camphoreous 23.2%

     

    Flavor
    Minty 39.55%
    Maple 39.0%
    Caramel 38.79%
    Sweet 36.6%
    Spice 33.04%
    Phenolic 29.4%
    Smoky 27.79%
    Spicy 27.62%
    Herbal 24.48%
    Sugar 23.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.83 (weak base)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    262°C

    Flash point

    • 102.04 ˚C est.

  • Synonyms

    • 4-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
    • 2-Cyclopenten-1-one, 4-ethyl-2-hydroxy-3-methyl
    • 4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one
    • 2-Cyclopenten-1-one, 2-hydroxy-4-ethyl-3-methyl
    • 71387-71-8
    • SCHEMBL20268643
    • DTXSID10336049
    • CHEBI:195724
    • FFJYTCCZZSZBGQ-UHFFFAOYSA-N
    • 4-Ethyl-3-methyl-2-hydroxy-2-cyclopenten-1-one
    • 4-Ethyl-3-methyl-2-hydroxycyclopent-2-en-1-one

  • Applications

    4-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one (CAS 71387-71-8) is primarily used as a fragrance ingredient in perfumery and cosmetics, acting as an aroma compound that can supplement or serve as a fragrance background in formulations. It also finds use in household cleaning and care products to provide a scent, and in industrial manufacturing as a building block or intermediate for the synthesis of more complex aroma compounds in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 818.97
    methanol 1202.67
    isopropanol 650.8
    water 41.41
    ethyl acetate 261.82
    n-propanol 544.67
    acetone 410.35
    n-butanol 403.94
    acetonitrile 458.28
    DMF 556.55
    toluene 75.83
    isobutanol 355.27
    1,4-dioxane 939.98
    methyl acetate 347.33
    THF 704.02
    2-butanone 289.72
    n-pentanol 246.04
    sec-butanol 347.75
    n-hexane 10.78
    ethylene glycol 347.08
    NMP 232.28
    cyclohexane 13.72
    DMSO 695.83
    n-butyl acetate 208.18
    n-octanol 160.81
    chloroform 743.91
    n-propyl acetate 156.85
    acetic acid 464.02
    dichloromethane 632.38
    cyclohexanone 291.55
    propylene glycol 249.44
    isopropyl acetate 182.47
    DMAc 246.61
    2-ethoxyethanol 514.12
    isopentanol 314.31
    n-heptane 9.47
    ethyl formate 253.94
    1,2-dichloroethane 425.76
    n-hexanol 299.1
    2-methoxyethanol 881.73
    isobutyl acetate 116.09
    tetrachloromethane 150.66
    n-pentyl acetate 166.0
    transcutol 1022.71
    n-heptanol 181.67
    ethylbenzene 64.56
    MIBK 180.98
    2-propoxyethanol 579.84
    tert-butanol 603.89
    MTBE 318.06
    2-butoxyethanol 374.67
    propionic acid 330.86
    o-xylene 78.07
    formic acid 436.13
    diethyl ether 262.68
    m-xylene 80.98
    p-xylene 90.78
    chlorobenzene 182.0
    dimethyl carbonate 115.78
    n-octane 8.4
    formamide 566.7
    cyclopentanone 403.75
    2-pentanone 219.1
    anisole 197.41
    cyclopentyl methyl ether 183.16
    gamma-butyrolactone 512.28
    1-methoxy-2-propanol 546.66
    pyridine 332.23
    3-pentanone 138.74
    furfural 469.1
    n-dodecane 9.08
    diethylene glycol 549.85
    diisopropyl ether 77.57
    tert-amyl alcohol 357.49
    acetylacetone 291.86
    n-hexadecane 10.16
    acetophenone 152.73
    methyl propionate 193.78
    isopentyl acetate 210.06
    trichloroethylene 718.31
    n-nonanol 137.04
    cyclohexanol 178.3
    benzyl alcohol 175.24
    2-ethylhexanol 129.95
    isooctanol 147.26
    dipropyl ether 94.1
    1,2-dichlorobenzene 182.6
    ethyl lactate 116.62
    propylene carbonate 230.25
    n-methylformamide 482.73
    2-pentanol 220.53
    n-pentane 11.27
    1-propoxy-2-propanol 322.45
    1-methoxy-2-propyl acetate 218.08
    2-(2-methoxypropoxy) propanol 227.14
    mesitylene 63.46
    ε-caprolactone 267.0
    p-cymene 52.68
    epichlorohydrin 656.39
    1,1,1-trichloroethane 364.87
    2-aminoethanol 515.14
    morpholine-4-carbaldehyde 504.25
    sulfolane 553.67
    2,2,4-trimethylpentane 13.33
    2-methyltetrahydrofuran 329.84
    n-hexyl acetate 224.65
    isooctane 15.01
    2-(2-butoxyethoxy)ethanol 365.17
    sec-butyl acetate 114.98
    tert-butyl acetate 222.36
    decalin 13.97
    glycerin 390.47
    diglyme 619.39
    acrylic acid 291.99
    isopropyl myristate 82.02
    n-butyric acid 387.28
    acetyl acetate 159.25
    di(2-ethylhexyl) phthalate 88.16
    ethyl propionate 130.4
    nitromethane 701.9
    1,2-diethoxyethane 280.49
    benzonitrile 208.03
    trioctyl phosphate 71.26
    1-bromopropane 170.41
    gamma-valerolactone 609.86
    n-decanol 100.65
    triethyl phosphate 66.08
    4-methyl-2-pentanol 159.75
    propionitrile 305.17
    vinylene carbonate 243.82
    1,1,2-trichlorotrifluoroethane 413.38
    DMS 166.33
    cumene 60.73
    2-octanol 127.13
    2-hexanone 167.62
    octyl acetate 111.55
    limonene 64.39
    1,2-dimethoxyethane 598.92
    ethyl orthosilicate 66.35
    tributyl phosphate 73.11
    diacetone alcohol 307.67
    N,N-dimethylaniline 123.17
    acrylonitrile 419.01
    aniline 185.91
    1,3-propanediol 630.19
    bromobenzene 158.03
    dibromomethane 360.07
    1,1,2,2-tetrachloroethane 512.91
    2-methyl-cyclohexyl acetate 110.31
    tetrabutyl urea 85.54
    diisobutyl methanol 88.19
    2-phenylethanol 222.61
    styrene 76.2
    dioctyl adipate 99.49
    dimethyl sulfate 179.98
    ethyl butyrate 125.16
    methyl lactate 155.88
    butyl lactate 133.07
    diethyl carbonate 87.46
    propanediol butyl ether 278.82
    triethyl orthoformate 89.7
    p-tert-butyltoluene 55.27
    methyl 4-tert-butylbenzoate 186.71
    morpholine 766.23
    tert-butylamine 299.62
    n-dodecanol 73.44
    dimethoxymethane 416.42
    ethylene carbonate 207.72
    cyrene 182.18
    2-ethoxyethyl acetate 242.03
    2-ethylhexyl acetate 138.26
    1,2,4-trichlorobenzene 202.05
    4-methylpyridine 259.47
    dibutyl ether 99.28
    2,6-dimethyl-4-heptanol 88.19
    DEF 194.93
    dimethyl isosorbide 310.26
    tetrachloroethylene 399.02
    eugenol 221.51
    triacetin 157.09
    span 80 186.35
    1,4-butanediol 252.08
    1,1-dichloroethane 425.5
    2-methyl-1-pentanol 189.85
    methyl formate 390.28
    2-methyl-1-butanol 255.2
    n-decane 14.14
    butyronitrile 267.14
    3,7-dimethyl-1-octanol 136.7
    1-chlorooctane 71.17
    1-chlorotetradecane 29.44
    n-nonane 12.25
    undecane 11.07
    tert-butylcyclohexane 17.52
    cyclooctane 5.94
    cyclopentanol 240.21
    tetrahydropyran 368.54
    tert-amyl methyl ether 167.18
    2,5,8-trioxanonane 369.31
    1-hexene 54.82
    2-isopropoxyethanol 318.59
    2,2,2-trifluoroethanol 257.85
    methyl butyrate 178.01

    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