2-Cyclohexen-1-one, 2-pentyl-

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  • Identifiers

    CAS number
    25435-63-6

    Molecular formula
    C11H18O

    SMILES
    CCCCCC1=CCCCC1=O

  • Odor profile

    Fragrance
    Fruity 87.05%
    Floral 85.13%
    Jasmin 79.73%
    Herbal 67.48%
    Woody 56.68%
    Green 51.07%
    Spicy 49.43%
    Fresh 49.35%
    Sweet 47.66%
    Coconut 38.31%

     

    Flavor
    Herbal 72.36%
    Fresh 46.71%
    Woody 39.64%
    Spicy 38.66%
    Spice 36.11%
    Celery 34.91%
    Jasmin 34.64%
    Fatty 32.78%
    Minty 26.08%
    Oily 25.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.59 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 97.66 ˚C est.

  • Synonyms

    • 2-Cyclohexen-1-one, 2-pentyl-
    • 25435-63-6
    • DTXSID10885300
    • 2-pentyl-2-cyclohexen-1-one
    • 2-pentyl-2-cyclohexenone
    • SCHEMBL1235894
    • 2-pentyl-cyclohex-2-en-1-one
    • UDFUFXGJDJZSJD-UHFFFAOYSA-N
    • DTXCID301024686
    • DB-281339
    • NS00050316

  • Applications

    2-Cyclohexen-1-one, 2-pentyl- (CAS 25435-63-6) is used primarily as an aroma compound and fragrance intermediate in commercial formulations: it functions as an odorant or scent-building block for perfumes and cosmetics, and may serve as a scent fixative or coupling component in fragrance recipes. In household and cleaning products, it can be used as a fragrance ingredient in cleaners and other consumer products with fragrance notes. In industrial manufacturing, it is commonly used as an intermediate in the synthesis of cyclic ketone derivatives and other specialty fragrance-related chemicals, providing building blocks for fragrance intermediates and related materials used in polymers, adhesives, or coatings. Its use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4850.36
    methanol 4703.34
    isopropanol 4511.67
    water 0.14
    ethyl acetate 6995.82
    n-propanol 4325.3
    acetone 9353.65
    n-butanol 4436.88
    acetonitrile 7625.8
    DMF 6272.18
    toluene 3963.14
    isobutanol 3530.43
    1,4-dioxane 6616.83
    methyl acetate 4687.91
    THF 6461.41
    2-butanone 6472.76
    n-pentanol 2542.65
    sec-butanol 3649.87
    n-hexane 1312.56
    ethylene glycol 292.73
    NMP 3441.68
    cyclohexane 1803.74
    DMSO 4750.06
    n-butyl acetate 5990.33
    n-octanol 1113.55
    chloroform 12575.69
    n-propyl acetate 3786.15
    acetic acid 2813.62
    dichloromethane 10931.91
    cyclohexanone 7937.7
    propylene glycol 543.67
    isopropyl acetate 3901.72
    DMAc 3021.32
    2-ethoxyethanol 2070.21
    isopentanol 4070.65
    n-heptane 459.2
    ethyl formate 3005.94
    1,2-dichloroethane 8246.28
    n-hexanol 3302.04
    2-methoxyethanol 3816.45
    isobutyl acetate 2033.1
    tetrachloromethane 1907.49
    n-pentyl acetate 2632.02
    transcutol 12317.17
    n-heptanol 1068.74
    ethylbenzene 1780.68
    MIBK 2833.31
    2-propoxyethanol 3478.34
    tert-butanol 4770.86
    MTBE 6570.0
    2-butoxyethanol 1729.04
    propionic acid 2499.81
    o-xylene 1548.24
    formic acid 474.98
    diethyl ether 8758.62
    m-xylene 1935.53
    p-xylene 1828.34
    chlorobenzene 4702.8
    dimethyl carbonate 1085.78
    n-octane 168.53
    formamide 1000.09
    cyclopentanone 6129.48
    2-pentanone 6192.97
    anisole 2614.65
    cyclopentyl methyl ether 4442.69
    gamma-butyrolactone 5497.11
    1-methoxy-2-propanol 3096.59
    pyridine 8745.94
    3-pentanone 3890.67
    furfural 4118.24
    n-dodecane 101.08
    diethylene glycol 1408.93
    diisopropyl ether 2047.43
    tert-amyl alcohol 3619.58
    acetylacetone 4379.01
    n-hexadecane 125.91
    acetophenone 2032.77
    methyl propionate 3880.57
    isopentyl acetate 4307.56
    trichloroethylene 13011.56
    n-nonanol 947.5
    cyclohexanol 3862.02
    benzyl alcohol 1854.91
    2-ethylhexanol 2003.19
    isooctanol 945.44
    dipropyl ether 2892.19
    1,2-dichlorobenzene 3373.64
    ethyl lactate 739.82
    propylene carbonate 2898.83
    n-methylformamide 2903.07
    2-pentanol 3285.62
    n-pentane 1014.06
    1-propoxy-2-propanol 2710.79
    1-methoxy-2-propyl acetate 2982.44
    2-(2-methoxypropoxy) propanol 1518.52
    mesitylene 1111.96
    ε-caprolactone 5740.2
    p-cymene 728.74
    epichlorohydrin 6793.92
    1,1,1-trichloroethane 7346.6
    2-aminoethanol 969.37
    morpholine-4-carbaldehyde 3807.05
    sulfolane 4213.3
    2,2,4-trimethylpentane 299.24
    2-methyltetrahydrofuran 6462.37
    n-hexyl acetate 3075.29
    isooctane 303.1
    2-(2-butoxyethoxy)ethanol 2390.07
    sec-butyl acetate 2342.61
    tert-butyl acetate 3245.08
    decalin 570.48
    glycerin 622.8
    diglyme 4309.76
    acrylic acid 1682.83
    isopropyl myristate 938.06
    n-butyric acid 5071.07
    acetyl acetate 2768.75
    di(2-ethylhexyl) phthalate 667.61
    ethyl propionate 2881.54
    nitromethane 4892.57
    1,2-diethoxyethane 5680.29
    benzonitrile 3918.97
    trioctyl phosphate 502.2
    1-bromopropane 6545.26
    gamma-valerolactone 6032.42
    n-decanol 650.36
    triethyl phosphate 653.11
    4-methyl-2-pentanol 1541.31
    propionitrile 5918.89
    vinylene carbonate 2787.8
    1,1,2-trichlorotrifluoroethane 3280.69
    DMS 1800.9
    cumene 883.66
    2-octanol 861.21
    2-hexanone 3772.49
    octyl acetate 1136.57
    limonene 1282.4
    1,2-dimethoxyethane 4908.21
    ethyl orthosilicate 707.55
    tributyl phosphate 741.74
    diacetone alcohol 2320.04
    N,N-dimethylaniline 1345.44
    acrylonitrile 5512.58
    aniline 3910.33
    1,3-propanediol 1847.01
    bromobenzene 5209.28
    dibromomethane 8327.71
    1,1,2,2-tetrachloroethane 9473.5
    2-methyl-cyclohexyl acetate 1347.95
    tetrabutyl urea 882.17
    diisobutyl methanol 983.73
    2-phenylethanol 1903.43
    styrene 2779.85
    dioctyl adipate 1109.6
    dimethyl sulfate 1229.12
    ethyl butyrate 2720.54
    methyl lactate 901.68
    butyl lactate 1367.19
    diethyl carbonate 1410.85
    propanediol butyl ether 1441.49
    triethyl orthoformate 1412.6
    p-tert-butyltoluene 676.21
    methyl 4-tert-butylbenzoate 1247.83
    morpholine 8383.99
    tert-butylamine 3772.12
    n-dodecanol 476.35
    dimethoxymethane 3628.52
    ethylene carbonate 2571.0
    cyrene 851.54
    2-ethoxyethyl acetate 2970.23
    2-ethylhexyl acetate 3140.46
    1,2,4-trichlorobenzene 3391.27
    4-methylpyridine 9083.04
    dibutyl ether 2797.59
    2,6-dimethyl-4-heptanol 983.73
    DEF 5449.39
    dimethyl isosorbide 2027.9
    tetrachloroethylene 5947.53
    eugenol 1226.67
    triacetin 1792.74
    span 80 1388.28
    1,4-butanediol 591.78
    1,1-dichloroethane 9899.07
    2-methyl-1-pentanol 2384.25
    methyl formate 1851.4
    2-methyl-1-butanol 3633.57
    n-decane 203.21
    butyronitrile 6696.23
    3,7-dimethyl-1-octanol 1303.0
    1-chlorooctane 1051.17
    1-chlorotetradecane 341.3
    n-nonane 216.03
    undecane 137.71
    tert-butylcyclohexane 485.63
    cyclooctane 462.85
    cyclopentanol 2863.95
    tetrahydropyran 10068.05
    tert-amyl methyl ether 3350.36
    2,5,8-trioxanonane 2308.41
    1-hexene 3958.71
    2-isopropoxyethanol 1679.39
    2,2,2-trifluoroethanol 581.24
    methyl butyrate 4334.69

    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