3-Hydroxy-2-methyl-cyclopent-2-enone

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  • Identifiers

    CAS number
    5870-63-3

    Molecular formula
    C6H8O2

    SMILES
    CC1=C(CCC1=O)O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 78.39%
    Sweet 56.46%
    Burnt 56.41%
    Roasted 38.53%
    Nutty 35.99%
    Coffee 30.23%
    Buttery 28.66%
    Coumarinic 24.46%
    Creamy 24.46%
    Phenolic 24.09%

     

    Flavor
    Caramel 46.59%
    Maple 41.95%
    Phenolic 28.25%
    Sugar 27.83%
    Sweet 26.63%
    Minty 25.5%
    Smoky 25.24%
    Maple syrup 24.4%
    Cotton candy 23.55%
    Extremely sweet 23.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.64 (weak base)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    228°C

    Flash point

    • 90.33 ˚C est.

  • Synonyms

    • 5870-63-3
    • 3-Hydroxy-2-methyl-cyclopent-2-enone
    • 3-hydroxy-2-methylcyclopent-2-en-1-one
    • 2-Cyclopenten-1-one,3-hydroxy-2-methyl-
    • 2-Cyclopenten-1-one, 3-hydroxy-2-methyl-
    • 3-Hydroxy-2-methyl-2-cyclopenten-1-one
    • SCHEMBL123412
    • CHEMBL1829795
    • DTXSID70207403
    • MAIUFLILEAIYBX-UHFFFAOYSA-N
    • AKOS006291341
    • 3-hydroxy-2-methyl-cyclopent-2-en-1-one
    • 3-Hydroxy-2-methyl-2-cyclopenten-1-one #
    • InChI=1/C6H8O2/c1-4-5(7)2-3-6(4)8/h7H,2-3H2,1H
    • 5870-63-3

  • Applications

    3-Hydroxy-2-methylcyclopent-2-enone (CAS 5870-63-3) is commonly used as a synthetic intermediate in fragrance and flavor chemistry, serving as a building block for aroma compounds or as an odorant in perfumery formulations. In cosmetics and personal care, it is evaluated as a fragrance intermediate contributing to scent profiles. It may also find use in household products as a fragrance additive or odor component. In polymer and coating applications, it can act as a reactive enone-building block for specialty polymers or crosslinking chemistries. In pharmaceutical synthesis, it is typically used as an intermediate for organic transformations in drug discovery and development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 562.98
    methanol 897.56
    isopropanol 517.17
    water 157.0
    ethyl acetate 165.69
    n-propanol 393.25
    acetone 311.82
    n-butanol 329.21
    acetonitrile 344.97
    DMF 703.43
    toluene 41.33
    isobutanol 347.49
    1,4-dioxane 425.87
    methyl acetate 280.43
    THF 352.16
    2-butanone 239.14
    n-pentanol 220.79
    sec-butanol 399.31
    n-hexane 9.39
    ethylene glycol 219.08
    NMP 293.13
    cyclohexane 6.56
    DMSO 408.73
    n-butyl acetate 47.06
    n-octanol 81.42
    chloroform 372.33
    n-propyl acetate 78.93
    acetic acid 513.53
    dichloromethane 298.6
    cyclohexanone 164.85
    propylene glycol 260.59
    isopropyl acetate 103.05
    DMAc 600.35
    2-ethoxyethanol 407.85
    isopentanol 304.46
    n-heptane 5.39
    ethyl formate 161.0
    1,2-dichloroethane 150.32
    n-hexanol 111.45
    2-methoxyethanol 611.49
    isobutyl acetate 56.78
    tetrachloromethane 93.28
    n-pentyl acetate 69.42
    transcutol 568.34
    n-heptanol 95.07
    ethylbenzene 36.0
    MIBK 121.51
    2-propoxyethanol 209.05
    tert-butanol 563.68
    MTBE 243.12
    2-butoxyethanol 203.32
    propionic acid 333.84
    o-xylene 50.95
    formic acid 510.09
    diethyl ether 161.44
    m-xylene 41.19
    p-xylene 64.19
    chlorobenzene 71.92
    dimethyl carbonate 108.95
    n-octane 3.92
    formamide 883.97
    cyclopentanone 239.27
    2-pentanone 154.54
    anisole 145.82
    cyclopentyl methyl ether 114.81
    gamma-butyrolactone 294.76
    1-methoxy-2-propanol 427.25
    pyridine 220.66
    3-pentanone 104.26
    furfural 334.98
    n-dodecane 4.08
    diethylene glycol 218.18
    diisopropyl ether 44.28
    tert-amyl alcohol 434.53
    acetylacetone 186.46
    n-hexadecane 4.3
    acetophenone 130.53
    methyl propionate 158.25
    isopentyl acetate 62.74
    trichloroethylene 312.14
    n-nonanol 73.38
    cyclohexanol 142.48
    benzyl alcohol 161.5
    2-ethylhexanol 55.63
    isooctanol 83.95
    dipropyl ether 39.11
    1,2-dichlorobenzene 78.2
    ethyl lactate 67.8
    propylene carbonate 155.46
    n-methylformamide 513.78
    2-pentanol 218.0
    n-pentane 11.09
    1-propoxy-2-propanol 122.74
    1-methoxy-2-propyl acetate 81.43
    2-(2-methoxypropoxy) propanol 159.6
    mesitylene 29.26
    ε-caprolactone 155.16
    p-cymene 22.57
    epichlorohydrin 325.84
    1,1,1-trichloroethane 191.84
    2-aminoethanol 440.72
    morpholine-4-carbaldehyde 442.56
    sulfolane 284.1
    2,2,4-trimethylpentane 11.66
    2-methyltetrahydrofuran 217.74
    n-hexyl acetate 98.9
    isooctane 8.56
    2-(2-butoxyethoxy)ethanol 208.3
    sec-butyl acetate 62.13
    tert-butyl acetate 129.53
    decalin 8.37
    glycerin 336.29
    diglyme 403.25
    acrylic acid 298.29
    isopropyl myristate 39.44
    n-butyric acid 273.87
    acetyl acetate 108.31
    di(2-ethylhexyl) phthalate 49.14
    ethyl propionate 69.81
    nitromethane 758.99
    1,2-diethoxyethane 116.87
    benzonitrile 127.21
    trioctyl phosphate 34.61
    1-bromopropane 78.03
    gamma-valerolactone 386.51
    n-decanol 48.83
    triethyl phosphate 37.0
    4-methyl-2-pentanol 135.52
    propionitrile 208.33
    vinylene carbonate 154.94
    1,1,2-trichlorotrifluoroethane 328.2
    DMS 85.23
    cumene 35.35
    2-octanol 65.18
    2-hexanone 99.74
    octyl acetate 51.38
    limonene 27.66
    1,2-dimethoxyethane 428.38
    ethyl orthosilicate 38.84
    tributyl phosphate 37.97
    diacetone alcohol 229.2
    N,N-dimethylaniline 113.05
    acrylonitrile 284.22
    aniline 145.22
    1,3-propanediol 444.95
    bromobenzene 54.56
    dibromomethane 161.95
    1,1,2,2-tetrachloroethane 254.91
    2-methyl-cyclohexyl acetate 55.08
    tetrabutyl urea 48.39
    diisobutyl methanol 41.75
    2-phenylethanol 103.45
    styrene 42.4
    dioctyl adipate 53.93
    dimethyl sulfate 171.48
    ethyl butyrate 45.35
    methyl lactate 135.71
    butyl lactate 71.15
    diethyl carbonate 37.5
    propanediol butyl ether 175.82
    triethyl orthoformate 40.87
    p-tert-butyltoluene 23.37
    methyl 4-tert-butylbenzoate 118.39
    morpholine 465.65
    tert-butylamine 296.61
    n-dodecanol 34.56
    dimethoxymethane 321.16
    ethylene carbonate 120.37
    cyrene 155.63
    2-ethoxyethyl acetate 113.63
    2-ethylhexyl acetate 41.19
    1,2,4-trichlorobenzene 96.88
    4-methylpyridine 213.77
    dibutyl ether 49.85
    2,6-dimethyl-4-heptanol 41.75
    DEF 210.09
    dimethyl isosorbide 186.95
    tetrachloroethylene 217.53
    eugenol 141.23
    triacetin 110.26
    span 80 118.3
    1,4-butanediol 212.26
    1,1-dichloroethane 196.7
    2-methyl-1-pentanol 204.25
    methyl formate 312.27
    2-methyl-1-butanol 288.01
    n-decane 6.56
    butyronitrile 180.8
    3,7-dimethyl-1-octanol 76.47
    1-chlorooctane 28.26
    1-chlorotetradecane 11.7
    n-nonane 5.57
    undecane 4.95
    tert-butylcyclohexane 11.61
    cyclooctane 2.88
    cyclopentanol 198.5
    tetrahydropyran 176.02
    tert-amyl methyl ether 163.36
    2,5,8-trioxanonane 254.32
    1-hexene 39.22
    2-isopropoxyethanol 254.72
    2,2,2-trifluoroethanol 314.41
    methyl butyrate 106.39

    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