2-Hydroxycyclopent-2-en-1-one

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  • Identifiers

    CAS number
    10493-98-8

    Molecular formula
    C5H6O2

    SMILES
    C1CC(=O)C(=C1)O

  • Odor profile

    Fragrance
    Caramellic 79.03%
    Burnt 55.03%
    Roasted 32.79%
    Sweet 32.15%
    Odorless 29.42%
    Nutty 27.5%
    Coffee 27.04%
    Buttery 24.4%
    Savory 20.55%
    Malty 19.51%

     

    Flavor
    Caramel 34.12%
    Maple 33.96%
    Maple syrup 23.01%
    Fenugreek 22.08%
    Seedy 21.07%
    Cotton candy 20.98%
    Extremely sweet 20.9%
    Buttery 19.75%
    Leaves 19.68%
    Urine 19.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.07 (neutral)

    Molecular weight
    98.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 86.99 ˚C est.

  • Synonyms

    • 2-Hydroxycyclopent-2-en-1-one
    • 10493-98-8
    • 2-hydroxycyclopent-2-enone
    • 2-Cyclopenten-1-one, 2-hydroxy-
    • 2-Hydroxy-2-cyclopentenone
    • MFCD16251523
    • DQ8L4K1DLJ
    • EINECS 234-020-8
    • 2-Hydroxy-2-cyclopenten-1-one
    • hydroxycyclopentenone
    • UNII-DQ8L4K1DLJ
    • 2-Hydroxy-cyclopent-2-enone
    • 2-Cyclopentenone, 2-hydroxy-
    • WOPKYMRPOKFYNI-UHFFFAOYSA-
    • DTXSID80146839
    • 2-Hydroxy-2-cyclopenten-1-one #
    • EX-A3140
    • AKOS015856393
    • CS-W019237
    • 2-Hydroxycyclopent-2-en-1-one, 95%
    • AS-59649
    • FH143792
    • SY102330
    • DB-347131
    • NS00023331
    • InChI=1/C5H6O2/c6-4-2-1-3-5(4)7/h2,6H,1,3H2

  • Applications

    2-Hydroxycyclopent-2-en-1-one (CAS 10493-98-8) is commonly used as a precursor in the synthesis of fragrance compounds, serving as a building block for aroma ingredients. It is also evaluated as an intermediate in the preparation of flavor and aroma materials, and may find use in cosmetics and personal care as a fragrance component. In the coatings/inks and polymers/plastics sectors, it can function as an intermediate or functional component for polymer and surface-chemistry applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.83
    methanol 439.02
    isopropanol 86.59
    water 265.08
    ethyl acetate 37.46
    n-propanol 87.87
    acetone 56.84
    n-butanol 75.06
    acetonitrile 50.06
    DMF 173.23
    toluene 5.63
    isobutanol 66.9
    1,4-dioxane 58.21
    methyl acetate 49.2
    THF 60.36
    2-butanone 35.88
    n-pentanol 64.73
    sec-butanol 73.07
    n-hexane 2.53
    ethylene glycol 139.51
    NMP 91.96
    cyclohexane 1.99
    DMSO 153.58
    n-butyl acetate 19.92
    n-octanol 39.99
    chloroform 36.53
    n-propyl acetate 27.44
    acetic acid 341.21
    dichloromethane 39.75
    cyclohexanone 31.91
    propylene glycol 85.62
    isopropyl acetate 27.74
    DMAc 165.07
    2-ethoxyethanol 186.98
    isopentanol 83.97
    n-heptane 2.44
    ethyl formate 58.5
    1,2-dichloroethane 23.05
    n-hexanol 38.95
    2-methoxyethanol 248.4
    isobutyl acetate 18.47
    tetrachloromethane 13.79
    n-pentyl acetate 32.64
    transcutol 460.1
    n-heptanol 45.66
    ethylbenzene 7.62
    MIBK 33.47
    2-propoxyethanol 89.59
    tert-butanol 111.63
    MTBE 43.52
    2-butoxyethanol 109.48
    propionic acid 99.01
    o-xylene 9.67
    formic acid 514.34
    diethyl ether 23.57
    m-xylene 7.63
    p-xylene 10.75
    chlorobenzene 8.99
    dimethyl carbonate 29.66
    n-octane 2.08
    formamide 633.4
    cyclopentanone 44.01
    2-pentanone 28.97
    anisole 31.84
    cyclopentyl methyl ether 22.65
    gamma-butyrolactone 72.12
    1-methoxy-2-propanol 134.96
    pyridine 39.75
    3-pentanone 16.77
    furfural 109.7
    n-dodecane 2.13
    diethylene glycol 132.77
    diisopropyl ether 11.17
    tert-amyl alcohol 108.11
    acetylacetone 49.27
    n-hexadecane 2.11
    acetophenone 37.66
    methyl propionate 31.78
    isopentyl acetate 25.73
    trichloroethylene 50.05
    n-nonanol 36.1
    cyclohexanol 29.38
    benzyl alcohol 49.12
    2-ethylhexanol 24.52
    isooctanol 43.3
    dipropyl ether 11.36
    1,2-dichlorobenzene 13.93
    ethyl lactate 32.31
    propylene carbonate 46.77
    n-methylformamide 166.08
    2-pentanol 46.32
    n-pentane 2.93
    1-propoxy-2-propanol 50.58
    1-methoxy-2-propyl acetate 33.35
    2-(2-methoxypropoxy) propanol 104.88
    mesitylene 7.58
    ε-caprolactone 42.84
    p-cymene 8.67
    epichlorohydrin 68.43
    1,1,1-trichloroethane 19.67
    2-aminoethanol 190.28
    morpholine-4-carbaldehyde 143.68
    sulfolane 93.02
    2,2,4-trimethylpentane 4.1
    2-methyltetrahydrofuran 41.3
    n-hexyl acetate 42.35
    isooctane 3.3
    2-(2-butoxyethoxy)ethanol 146.57
    sec-butyl acetate 20.4
    tert-butyl acetate 38.97
    decalin 2.47
    glycerin 165.11
    diglyme 245.74
    acrylic acid 121.57
    isopropyl myristate 17.91
    n-butyric acid 92.46
    acetyl acetate 34.96
    di(2-ethylhexyl) phthalate 30.64
    ethyl propionate 19.57
    nitromethane 287.79
    1,2-diethoxyethane 57.3
    benzonitrile 29.01
    trioctyl phosphate 20.48
    1-bromopropane 9.85
    gamma-valerolactone 92.09
    n-decanol 25.73
    triethyl phosphate 14.3
    4-methyl-2-pentanol 45.64
    propionitrile 28.1
    vinylene carbonate 51.66
    1,1,2-trichlorotrifluoroethane 111.66
    DMS 33.57
    cumene 10.04
    2-octanol 30.38
    2-hexanone 27.81
    octyl acetate 24.5
    limonene 9.59
    1,2-dimethoxyethane 128.37
    ethyl orthosilicate 14.89
    tributyl phosphate 21.8
    diacetone alcohol 85.84
    N,N-dimethylaniline 34.13
    acrylonitrile 49.67
    aniline 23.83
    1,3-propanediol 166.81
    bromobenzene 6.61
    dibromomethane 21.08
    1,1,2,2-tetrachloroethane 37.11
    2-methyl-cyclohexyl acetate 23.07
    tetrabutyl urea 28.33
    diisobutyl methanol 21.04
    2-phenylethanol 37.93
    styrene 8.2
    dioctyl adipate 28.16
    dimethyl sulfate 50.26
    ethyl butyrate 17.81
    methyl lactate 50.8
    butyl lactate 42.38
    diethyl carbonate 14.11
    propanediol butyl ether 114.94
    triethyl orthoformate 16.48
    p-tert-butyltoluene 8.49
    methyl 4-tert-butylbenzoate 63.84
    morpholine 76.77
    tert-butylamine 57.98
    n-dodecanol 18.8
    dimethoxymethane 77.16
    ethylene carbonate 34.78
    cyrene 76.25
    2-ethoxyethyl acetate 57.67
    2-ethylhexyl acetate 16.4
    1,2,4-trichlorobenzene 18.02
    4-methylpyridine 31.68
    dibutyl ether 20.45
    2,6-dimethyl-4-heptanol 21.04
    DEF 59.16
    dimethyl isosorbide 96.19
    tetrachloroethylene 43.24
    eugenol 82.94
    triacetin 57.92
    span 80 73.74
    1,4-butanediol 100.86
    1,1-dichloroethane 16.76
    2-methyl-1-pentanol 75.46
    methyl formate 117.17
    2-methyl-1-butanol 74.86
    n-decane 3.09
    butyronitrile 30.87
    3,7-dimethyl-1-octanol 43.93
    1-chlorooctane 10.28
    1-chlorotetradecane 4.93
    n-nonane 2.65
    undecane 2.47
    tert-butylcyclohexane 3.5
    cyclooctane 1.29
    cyclopentanol 37.2
    tetrahydropyran 23.31
    tert-amyl methyl ether 36.09
    2,5,8-trioxanonane 171.31
    1-hexene 7.51
    2-isopropoxyethanol 113.98
    2,2,2-trifluoroethanol 172.3
    methyl butyrate 33.79

    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