2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-

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  • Identifiers

    CAS number
    42348-12-9

    Molecular formula
    C8H12O2

    SMILES
    CCC1=C(C(=O)CC1C)O

  • Odor profile

    Sweet 78.17%
    Caramellic 77.1%
    Burnt 56.46%
    Phenolic 36.05%
    Coffee 32.68%
    Spicy 27.5%
    Nutty 27.32%
    Roasted 27.25%
    Mint 27.2%
    Tobacco 25.54%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 260.00 to 261.00 °C. @ 760.00 mm Hg

    Flash point est.
    102.95 ˚C

    Solubility expt.

    • slightly
    • slightly insoluble in water; soluble in fat; miscible with ethanol

  • Synonyms

    • 42348-12-9
    • 3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one
    • 3-Ethyl-4-methylcyclotene
    • 3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one
    • 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
    • EINECS 255-767-6
    • DTXSID50885864
    • 2-Cyclopenten-1-one,3-ethyl-2-hydroxy-4-methyl-
    • 2-Cyclopenten-1-one, 2-hydroxy-3-ethyl-4-methyl
    • SCHEMBL1843664
    • FEMA 3453
    • CHEBI:185027
    • DTXCID001025223
    • EAA28277
    • AKOS006326871
    • NS00012412

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 980.06
    methanol 1819.82
    isopropanol 638.75
    water 20.29
    ethyl acetate 453.48
    n-propanol 700.73
    acetone 678.06
    n-butanol 569.69
    acetonitrile 823.33
    DMF 646.73
    toluene 128.73
    isobutanol 454.5
    1,4-dioxane 1377.55
    methyl acetate 485.96
    THF 1222.26
    2-butanone 429.27
    n-pentanol 361.82
    sec-butanol 397.27
    n-hexane 30.8
    ethylene glycol 274.28
    NMP 484.72
    cyclohexane 43.78
    DMSO 836.03
    n-butyl acetate 359.04
    n-octanol 164.71
    chloroform 1079.83
    n-propyl acetate 273.22
    acetic acid 774.94
    dichloromethane 1045.32
    cyclohexanone 589.56
    propylene glycol 198.62
    isopropyl acetate 271.95
    DMAc 242.84
    2-ethoxyethanol 593.66
    isopentanol 458.32
    n-heptane 21.59
    ethyl formate 384.95
    1,2-dichloroethane 711.74
    n-hexanol 381.4
    2-methoxyethanol 1054.11
    isobutyl acetate 164.67
    tetrachloromethane 210.83
    n-pentyl acetate 221.6
    transcutol 1390.83
    n-heptanol 176.86
    ethylbenzene 87.26
    MIBK 268.85
    2-propoxyethanol 650.65
    tert-butanol 677.45
    MTBE 440.45
    2-butoxyethanol 336.41
    propionic acid 474.37
    o-xylene 99.79
    formic acid 596.74
    diethyl ether 554.77
    m-xylene 117.17
    p-xylene 114.1
    chlorobenzene 291.26
    dimethyl carbonate 159.72
    n-octane 12.39
    formamide 849.12
    cyclopentanone 712.1
    2-pentanone 380.36
    anisole 251.94
    cyclopentyl methyl ether 382.63
    gamma-butyrolactone 956.65
    1-methoxy-2-propanol 560.85
    pyridine 560.83
    3-pentanone 236.21
    furfural 664.16
    n-dodecane 11.34
    diethylene glycol 561.41
    diisopropyl ether 140.5
    tert-amyl alcohol 402.07
    acetylacetone 391.83
    n-hexadecane 12.97
    acetophenone 192.14
    methyl propionate 313.47
    isopentyl acetate 306.84
    trichloroethylene 1059.79
    n-nonanol 142.64
    cyclohexanol 315.12
    benzyl alcohol 207.88
    2-ethylhexanol 156.35
    isooctanol 138.65
    dipropyl ether 172.85
    1,2-dichlorobenzene 259.06
    ethyl lactate 128.03
    propylene carbonate 416.05
    n-methylformamide 689.2
    2-pentanol 314.0
    n-pentane 33.59
    1-propoxy-2-propanol 362.72
    1-methoxy-2-propyl acetate 304.55
    2-(2-methoxypropoxy) propanol 239.1
    mesitylene 82.4
    ε-caprolactone 505.7
    p-cymene 65.96
    epichlorohydrin 984.42
    1,1,1-trichloroethane 553.78
    2-aminoethanol 503.47
    morpholine-4-carbaldehyde 670.39
    sulfolane 904.02
    2,2,4-trimethylpentane 22.34
    2-methyltetrahydrofuran 647.62
    n-hexyl acetate 292.4
    isooctane 25.04
    2-(2-butoxyethoxy)ethanol 397.21
    sec-butyl acetate 163.7
    tert-butyl acetate 318.69
    decalin 25.77
    glycerin 297.63
    diglyme 672.87
    acrylic acid 439.97
    isopropyl myristate 104.24
    n-butyric acid 559.62
    acetyl acetate 243.83
    di(2-ethylhexyl) phthalate 98.37
    ethyl propionate 203.67
    nitromethane 1090.01
    1,2-diethoxyethane 438.59
    benzonitrile 307.72
    trioctyl phosphate 81.8
    1-bromopropane 327.87
    gamma-valerolactone 899.93
    n-decanol 104.52
    triethyl phosphate 88.13
    4-methyl-2-pentanol 193.63
    propionitrile 523.12
    vinylene carbonate 419.68
    1,1,2-trichlorotrifluoroethane 489.29
    DMS 230.73
    cumene 72.48
    2-octanol 122.48
    2-hexanone 257.74
    octyl acetate 132.07
    limonene 91.03
    1,2-dimethoxyethane 773.36
    ethyl orthosilicate 90.35
    tributyl phosphate 96.06
    diacetone alcohol 341.19
    N,N-dimethylaniline 141.16
    acrylonitrile 636.04
    aniline 258.57
    1,3-propanediol 721.36
    bromobenzene 262.82
    dibromomethane 642.08
    1,1,2,2-tetrachloroethane 666.84
    2-methyl-cyclohexyl acetate 151.85
    tetrabutyl urea 112.5
    diisobutyl methanol 105.25
    2-phenylethanol 242.03
    styrene 110.97
    dioctyl adipate 128.46
    dimethyl sulfate 229.22
    ethyl butyrate 184.63
    methyl lactate 165.93
    butyl lactate 162.17
    diethyl carbonate 127.47
    propanediol butyl ether 277.39
    triethyl orthoformate 137.91
    p-tert-butyltoluene 67.74
    methyl 4-tert-butylbenzoate 199.0
    morpholine 1185.75
    tert-butylamine 375.35
    n-dodecanol 77.23
    dimethoxymethane 598.13
    ethylene carbonate 369.54
    cyrene 202.46
    2-ethoxyethyl acetate 327.83
    2-ethylhexyl acetate 204.61
    1,2,4-trichlorobenzene 285.5
    4-methylpyridine 416.24
    dibutyl ether 160.58
    2,6-dimethyl-4-heptanol 105.25
    DEF 306.19
    dimethyl isosorbide 404.78
    tetrachloroethylene 576.3
    eugenol 211.26
    triacetin 201.2
    span 80 203.9
    1,4-butanediol 246.88
    1,1-dichloroethane 664.67
    2-methyl-1-pentanol 264.77
    methyl formate 569.28
    2-methyl-1-butanol 364.91
    n-decane 18.95
    butyronitrile 469.06
    3,7-dimethyl-1-octanol 151.74
    1-chlorooctane 91.65
    1-chlorotetradecane 36.89
    n-nonane 17.17
    undecane 14.21
    tert-butylcyclohexane 27.28
    cyclooctane 15.3
    cyclopentanol 407.05
    tetrahydropyran 760.14
    tert-amyl methyl ether 219.58
    2,5,8-trioxanonane 407.23
    1-hexene 119.17
    2-isopropoxyethanol 352.37
    2,2,2-trifluoroethanol 317.13
    methyl butyrate 271.97

    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