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

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  • Identifiers

    CAS number
    53263-58-4

    Molecular formula
    C8H12O2

    SMILES
    CCC1CC(=C(C1=O)O)C

  • Odor profile

    Fragrance
    Caramellic 70.38%
    Burnt 51.38%
    Sweet 45.81%
    Phenolic 30.99%
    Spicy 30.38%
    Roasted 29.08%
    Coffee 27.87%
    Mint 27.0%
    Malty 24.14%
    Woody 23.16%

     

    Flavor
    Caramel 44.54%
    Maple 42.25%
    Sweet 37.77%
    Minty 31.58%
    Smoky 27.04%
    Spice 26.15%
    Sugar 25.46%
    Phenolic 24.64%
    Maple syrup 23.4%
    Leaves 22.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.65 (weak base)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    260°C

    Flash point

    • 99.73 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in ethanol, fat, propylene glycol

  • Synonyms

    • 5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
    • 53263-58-4
    • 5-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one
    • DTXSID40967840
    • 2-Cyclopenten-1-one, 5-ethyl-2-hydroxy-3-methyl
    • SCHEMBL1847023
    • DTXCID201297337
    • AKOS006326872
    • DB-317649
    • NS00056413
    • 2-Cyclopenten-1-one, 2-hydroxy-5-ethyl-3-methyl

  • Applications

    5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one (CAS 53263-58-4) is primarily used in fragrance and related industries as an odorant and as an intermediate for the synthesis of fragrance compounds. In perfumery and cosmetics, it is used as a fragrance component to shape and enrich scent profiles. In household products, cleaners and air‑freshening formulations may incorporate it as an odorant or fragrance additive. It may be used as a flavor/aroma ingredient in food-related formulations, depending on regulatory allowances. In industrial manufacturing, it is often evaluated as a building block for the synthesis of fragrance-related chemicals and other specialty compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1367.82
    methanol 2061.33
    isopropanol 1076.23
    water 64.6
    ethyl acetate 498.53
    n-propanol 903.46
    acetone 919.8
    n-butanol 641.9
    acetonitrile 862.24
    DMF 985.54
    toluene 119.47
    isobutanol 681.68
    1,4-dioxane 1317.48
    methyl acetate 733.65
    THF 1046.94
    2-butanone 617.97
    n-pentanol 476.76
    sec-butanol 662.5
    n-hexane 25.62
    ethylene glycol 481.5
    NMP 474.43
    cyclohexane 24.19
    DMSO 962.79
    n-butyl acetate 351.69
    n-octanol 273.98
    chloroform 1248.59
    n-propyl acetate 366.21
    acetic acid 881.01
    dichloromethane 1063.37
    cyclohexanone 517.25
    propylene glycol 436.07
    isopropyl acetate 341.75
    DMAc 490.45
    2-ethoxyethanol 908.78
    isopentanol 532.66
    n-heptane 16.38
    ethyl formate 506.32
    1,2-dichloroethane 677.73
    n-hexanol 444.73
    2-methoxyethanol 1275.81
    isobutyl acetate 240.77
    tetrachloromethane 221.3
    n-pentyl acetate 294.59
    transcutol 1445.87
    n-heptanol 287.69
    ethylbenzene 115.45
    MIBK 322.08
    2-propoxyethanol 796.65
    tert-butanol 965.16
    MTBE 612.9
    2-butoxyethanol 554.74
    propionic acid 588.66
    o-xylene 120.59
    formic acid 687.97
    diethyl ether 471.82
    m-xylene 126.41
    p-xylene 163.38
    chlorobenzene 288.57
    dimethyl carbonate 203.63
    n-octane 15.1
    formamide 912.47
    cyclopentanone 709.8
    2-pentanone 423.52
    anisole 323.0
    cyclopentyl methyl ether 330.74
    gamma-butyrolactone 922.62
    1-methoxy-2-propanol 834.23
    pyridine 506.63
    3-pentanone 270.85
    furfural 760.12
    n-dodecane 16.33
    diethylene glycol 712.68
    diisopropyl ether 146.96
    tert-amyl alcohol 693.24
    acetylacetone 494.84
    n-hexadecane 18.14
    acetophenone 269.27
    methyl propionate 397.42
    isopentyl acetate 347.28
    trichloroethylene 1238.81
    n-nonanol 226.09
    cyclohexanol 300.44
    benzyl alcohol 306.14
    2-ethylhexanol 207.91
    isooctanol 247.09
    dipropyl ether 145.87
    1,2-dichlorobenzene 286.71
    ethyl lactate 205.54
    propylene carbonate 483.02
    n-methylformamide 874.71
    2-pentanol 428.99
    n-pentane 23.29
    1-propoxy-2-propanol 471.75
    1-methoxy-2-propyl acetate 325.14
    2-(2-methoxypropoxy) propanol 318.97
    mesitylene 97.27
    ε-caprolactone 486.44
    p-cymene 80.61
    epichlorohydrin 1081.34
    1,1,1-trichloroethane 602.49
    2-aminoethanol 776.28
    morpholine-4-carbaldehyde 763.67
    sulfolane 883.43
    2,2,4-trimethylpentane 27.84
    2-methyltetrahydrofuran 574.8
    n-hexyl acetate 391.61
    isooctane 29.62
    2-(2-butoxyethoxy)ethanol 508.47
    sec-butyl acetate 237.3
    tert-butyl acetate 387.6
    decalin 27.29
    glycerin 544.58
    diglyme 879.41
    acrylic acid 518.15
    isopropyl myristate 133.62
    n-butyric acid 638.12
    acetyl acetate 293.59
    di(2-ethylhexyl) phthalate 132.4
    ethyl propionate 265.55
    nitromethane 1330.48
    1,2-diethoxyethane 431.66
    benzonitrile 358.65
    trioctyl phosphate 109.11
    1-bromopropane 290.47
    gamma-valerolactone 956.46
    n-decanol 165.05
    triethyl phosphate 101.97
    4-methyl-2-pentanol 272.89
    propionitrile 546.33
    vinylene carbonate 468.29
    1,1,2-trichlorotrifluoroethane 661.59
    DMS 277.5
    cumene 104.53
    2-octanol 219.81
    2-hexanone 329.49
    octyl acetate 188.3
    limonene 100.76
    1,2-dimethoxyethane 972.39
    ethyl orthosilicate 102.87
    tributyl phosphate 116.56
    diacetone alcohol 464.34
    N,N-dimethylaniline 200.44
    acrylonitrile 736.61
    aniline 269.98
    1,3-propanediol 887.16
    bromobenzene 261.94
    dibromomethane 608.54
    1,1,2,2-tetrachloroethane 890.06
    2-methyl-cyclohexyl acetate 184.16
    tetrabutyl urea 134.54
    diisobutyl methanol 136.08
    2-phenylethanol 314.41
    styrene 133.71
    dioctyl adipate 159.14
    dimethyl sulfate 305.55
    ethyl butyrate 216.93
    methyl lactate 258.01
    butyl lactate 222.77
    diethyl carbonate 143.96
    propanediol butyl ether 472.56
    triethyl orthoformate 142.63
    p-tert-butyltoluene 82.38
    methyl 4-tert-butylbenzoate 283.48
    morpholine 1105.21
    tert-butylamine 527.09
    n-dodecanol 118.59
    dimethoxymethane 658.02
    ethylene carbonate 387.96
    cyrene 270.4
    2-ethoxyethyl acetate 387.57
    2-ethylhexyl acetate 222.72
    1,2,4-trichlorobenzene 329.94
    4-methylpyridine 445.68
    dibutyl ether 167.86
    2,6-dimethyl-4-heptanol 136.08
    DEF 378.01
    dimethyl isosorbide 435.7
    tetrachloroethylene 674.36
    eugenol 332.56
    triacetin 268.8
    span 80 264.03
    1,4-butanediol 438.73
    1,1-dichloroethane 762.14
    2-methyl-1-pentanol 385.27
    methyl formate 761.04
    2-methyl-1-butanol 488.59
    n-decane 25.56
    butyronitrile 466.85
    3,7-dimethyl-1-octanol 230.31
    1-chlorooctane 126.6
    1-chlorotetradecane 50.51
    n-nonane 22.71
    undecane 19.97
    tert-butylcyclohexane 34.32
    cyclooctane 10.78
    cyclopentanol 417.72
    tetrahydropyran 581.52
    tert-amyl methyl ether 318.0
    2,5,8-trioxanonane 496.41
    1-hexene 121.68
    2-isopropoxyethanol 599.36
    2,2,2-trifluoroethanol 430.48
    methyl butyrate 372.68

    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