2-Hexyl-3-methylcyclopent-2-en-1-one

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  • Identifiers

    CAS number
    4868-24-0

    Molecular formula
    C12H20O

    SMILES
    CCCCCCC1=C(CCC1=O)C

  • Odor profile

    Fragrance
    Fruity 90.8%
    Floral 85.78%
    Jasmin 69.87%
    Woody 66.29%
    Herbal 61.26%
    Spicy 60.8%
    Sweet 60.02%
    Fresh 47.69%
    Waxy 39.51%
    Rose 33.83%

     

    Flavor
    Herbal 76.03%
    Woody 61.03%
    Spicy 50.38%
    Fresh 46.82%
    Jasmin 43.67%
    Celery 39.85%
    Spice 39.32%
    Floral 33.58%
    Herb 28.77%
    Minty 28.48%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.21 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 96.04 ˚C est.

  • Synonyms

    • Homodihydrojasmone
    • 2-hexyl-3-methylcyclopent-2-en-1-one
    • 4868-24-0
    • 2-hexyl-3-methyl-cyclopent-2-en-1-one
    • 2-Cyclopenten-1-one, 2-hexyl-3-methyl-
    • SCHEMBL2947589
    • DTXSID00456543
    • CHEBI:171895
    • JAPZZAUIIPKQJW-UHFFFAOYSA-N
    • 2-hexyl-3-methyl-2-cyclopenten-1-one
    • D1440

  • Applications

    2-Hexyl-3-methylcyclopent-2-en-1-one (CAS 4868-24-0) is primarily used in perfumery as an odorant and potential fixative, contributing green and woody facets and helping to stabilize fragrance profiles in formulations. It is also regarded as an intermediate and is used as a scent ingredient in cosmetics/personal care, with applications in household products and air fresheners where it contributes lasting aroma. In industrial manufacturing, it can serve as a fragrance component in coatings and inks, and may function as a fragrance intermediate for formulation development, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9769.48
    methanol 9285.77
    isopropanol 9682.0
    water 0.47
    ethyl acetate 13194.97
    n-propanol 8242.57
    acetone 15909.37
    n-butanol 7962.55
    acetonitrile 14909.85
    DMF 8438.57
    toluene 4158.51
    isobutanol 6735.84
    1,4-dioxane 12981.4
    methyl acetate 8901.47
    THF 10950.59
    2-butanone 10939.88
    n-pentanol 4170.54
    sec-butanol 6419.33
    n-hexane 1254.43
    ethylene glycol 505.61
    NMP 4021.12
    cyclohexane 1851.85
    DMSO 4786.87
    n-butyl acetate 8705.6
    n-octanol 1311.99
    chloroform 16480.95
    n-propyl acetate 6411.27
    acetic acid 4317.59
    dichloromethane 14792.19
    cyclohexanone 11221.47
    propylene glycol 1014.53
    isopropyl acetate 8167.51
    DMAc 4468.89
    2-ethoxyethanol 4299.55
    isopentanol 7529.92
    n-heptane 382.67
    ethyl formate 5162.98
    1,2-dichloroethane 10946.03
    n-hexanol 4586.66
    2-methoxyethanol 7408.67
    isobutyl acetate 3755.99
    tetrachloromethane 2732.34
    n-pentyl acetate 3461.14
    transcutol 14468.37
    n-heptanol 1420.45
    ethylbenzene 1973.88
    MIBK 4910.36
    2-propoxyethanol 5827.42
    tert-butanol 10137.55
    MTBE 14609.77
    2-butoxyethanol 2626.76
    propionic acid 4135.92
    o-xylene 1780.4
    formic acid 850.24
    diethyl ether 15213.75
    m-xylene 2222.68
    p-xylene 2373.86
    chlorobenzene 5369.48
    dimethyl carbonate 1604.65
    n-octane 176.94
    formamide 1768.94
    cyclopentanone 8432.45
    2-pentanone 9708.41
    anisole 3828.06
    cyclopentyl methyl ether 6018.49
    gamma-butyrolactone 7943.06
    1-methoxy-2-propanol 5599.21
    pyridine 10827.58
    3-pentanone 6172.85
    furfural 5568.97
    n-dodecane 112.08
    diethylene glycol 2473.65
    diisopropyl ether 3495.91
    tert-amyl alcohol 6516.32
    acetylacetone 7168.29
    n-hexadecane 139.85
    acetophenone 2635.85
    methyl propionate 6206.54
    isopentyl acetate 6980.1
    trichloroethylene 15646.09
    n-nonanol 1127.23
    cyclohexanol 5749.73
    benzyl alcohol 2504.55
    2-ethylhexanol 2502.06
    isooctanol 1269.45
    dipropyl ether 3952.89
    1,2-dichlorobenzene 3850.94
    ethyl lactate 1180.43
    propylene carbonate 4182.62
    n-methylformamide 4523.17
    2-pentanol 5445.72
    n-pentane 962.69
    1-propoxy-2-propanol 4128.18
    1-methoxy-2-propyl acetate 5038.43
    2-(2-methoxypropoxy) propanol 1957.37
    mesitylene 1372.56
    ε-caprolactone 8230.12
    p-cymene 798.09
    epichlorohydrin 10619.36
    1,1,1-trichloroethane 10594.29
    2-aminoethanol 1795.23
    morpholine-4-carbaldehyde 5614.71
    sulfolane 5132.96
    2,2,4-trimethylpentane 369.15
    2-methyltetrahydrofuran 9838.91
    n-hexyl acetate 4105.26
    isooctane 380.28
    2-(2-butoxyethoxy)ethanol 3060.83
    sec-butyl acetate 4336.62
    tert-butyl acetate 6632.52
    decalin 658.7
    glycerin 1110.96
    diglyme 5978.35
    acrylic acid 2443.63
    isopropyl myristate 1219.59
    n-butyric acid 8719.66
    acetyl acetate 4623.94
    di(2-ethylhexyl) phthalate 779.59
    ethyl propionate 4796.07
    nitromethane 8289.42
    1,2-diethoxyethane 8861.38
    benzonitrile 4481.5
    trioctyl phosphate 564.6
    1-bromopropane 8040.33
    gamma-valerolactone 9619.11
    n-decanol 770.28
    triethyl phosphate 879.99
    4-methyl-2-pentanol 2543.34
    propionitrile 10234.69
    vinylene carbonate 3915.09
    1,1,2-trichlorotrifluoroethane 4169.62
    DMS 2603.15
    cumene 1143.87
    2-octanol 1101.01
    2-hexanone 5816.32
    octyl acetate 1375.21
    limonene 1430.8
    1,2-dimethoxyethane 9543.33
    ethyl orthosilicate 985.5
    tributyl phosphate 892.87
    diacetone alcohol 4067.18
    N,N-dimethylaniline 1817.99
    acrylonitrile 8720.34
    aniline 4726.22
    1,3-propanediol 3676.03
    bromobenzene 5776.47
    dibromomethane 10251.0
    1,1,2,2-tetrachloroethane 11864.59
    2-methyl-cyclohexyl acetate 1870.57
    tetrabutyl urea 1012.13
    diisobutyl methanol 1223.48
    2-phenylethanol 2392.1
    styrene 3046.11
    dioctyl adipate 1301.76
    dimethyl sulfate 1608.89
    ethyl butyrate 3994.51
    methyl lactate 1411.38
    butyl lactate 1713.5
    diethyl carbonate 2064.07
    propanediol butyl ether 1818.46
    triethyl orthoformate 2108.63
    p-tert-butyltoluene 793.56
    methyl 4-tert-butylbenzoate 1578.88
    morpholine 15594.25
    tert-butylamine 7185.04
    n-dodecanol 565.49
    dimethoxymethane 5821.68
    ethylene carbonate 4017.37
    cyrene 1118.04
    2-ethoxyethyl acetate 4291.98
    2-ethylhexyl acetate 4579.47
    1,2,4-trichlorobenzene 3928.43
    4-methylpyridine 11283.81
    dibutyl ether 3604.7
    2,6-dimethyl-4-heptanol 1223.48
    DEF 8671.57
    dimethyl isosorbide 2785.95
    tetrachloroethylene 7519.72
    eugenol 1526.73
    triacetin 2169.62
    span 80 1622.88
    1,4-butanediol 1059.04
    1,1-dichloroethane 13638.75
    2-methyl-1-pentanol 3883.09
    methyl formate 2983.45
    2-methyl-1-butanol 6209.38
    n-decane 224.92
    butyronitrile 10891.18
    3,7-dimethyl-1-octanol 1613.1
    1-chlorooctane 1143.09
    1-chlorotetradecane 388.17
    n-nonane 229.54
    undecane 149.89
    tert-butylcyclohexane 611.29
    cyclooctane 421.05
    cyclopentanol 4173.44
    tetrahydropyran 15398.15
    tert-amyl methyl ether 6039.35
    2,5,8-trioxanonane 3037.96
    1-hexene 4762.64
    2-isopropoxyethanol 3332.83
    2,2,2-trifluoroethanol 1058.82
    methyl butyrate 6973.45

    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