2-Pentylidenecyclohexan-1-one

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  • Identifiers

    CAS number
    25677-40-1

    Molecular formula
    C11H18O

    SMILES
    CCCCC=C1CCCCC1=O

  • Odor profile

    Fragrance
    Floral 79.43%
    Fruity 78.42%
    Jasmin 76.28%
    Herbal 71.13%
    Green 55.84%
    Spicy 52.15%
    Fresh 48.36%
    Woody 47.5%
    Coconut 43.38%
    Sweet 43.12%

     

    Flavor
    Herbal 68.68%
    Fresh 46.22%
    Spicy 40.24%
    Woody 37.76%
    Spice 35.98%
    Fatty 35.14%
    Celery 32.89%
    Jasmin 32.73%
    Minty 27.62%
    Fat 26.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.58 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 97.72 ˚C est.

  • Synonyms

    • 2-Pentylidenecyclohexan-1-one
    • 25677-40-1
    • 2-Pentylidenecyclohexanone
    • DTXSID70865244
    • 2-pentylidene cyclohexanone
    • pentylidene cyclohexanone
    • SCHEMBL9404904
    • DTXCID60813673
    • AKOS028108489
    • DB-314248
    • NS00048242

  • Applications

    2-Pentylidenecyclohexan-1-one (CAS 25677-40-1) is primarily considered a fragrance-related compound and may be used as an odorant or aroma intermediate in perfumery and cosmetics; it can be applied in personal care products (fragrances, creams, soaps) to contribute a distinctive scent; it may also be used in household and cleaning products as a fragrance ingredient; in industrial manufacturing, it can serve as a synthetic intermediate for aroma-related compounds and may be evaluated for coatings and inks that require fragrance components; its use depends on local regulations and formulation limits, with other applications possible depending on specific formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3809.7
    methanol 3297.94
    isopropanol 3937.56
    water 0.14
    ethyl acetate 5590.53
    n-propanol 3535.9
    acetone 7962.55
    n-butanol 3640.47
    acetonitrile 6503.78
    DMF 5624.74
    toluene 3456.68
    isobutanol 2990.65
    1,4-dioxane 5403.82
    methyl acetate 3972.86
    THF 5592.85
    2-butanone 5664.72
    n-pentanol 2120.4
    sec-butanol 3209.92
    n-hexane 1289.1
    ethylene glycol 226.13
    NMP 3243.18
    cyclohexane 1727.79
    DMSO 4051.27
    n-butyl acetate 5193.55
    n-octanol 1132.89
    chloroform 11707.73
    n-propyl acetate 3246.52
    acetic acid 2352.53
    dichloromethane 9882.88
    cyclohexanone 7226.86
    propylene glycol 453.13
    isopropyl acetate 3177.23
    DMAc 2805.99
    2-ethoxyethanol 1658.61
    isopentanol 3372.47
    n-heptane 493.84
    ethyl formate 2681.45
    1,2-dichloroethane 7216.79
    n-hexanol 2909.14
    2-methoxyethanol 2995.63
    isobutyl acetate 1758.63
    tetrachloromethane 1801.61
    n-pentyl acetate 2428.16
    transcutol 10022.73
    n-heptanol 1043.04
    ethylbenzene 1678.8
    MIBK 2443.55
    2-propoxyethanol 2871.75
    tert-butanol 4069.67
    MTBE 5280.28
    2-butoxyethanol 1559.75
    propionic acid 2209.6
    o-xylene 1465.96
    formic acid 364.94
    diethyl ether 6794.65
    m-xylene 1762.44
    p-xylene 1762.9
    chlorobenzene 4394.98
    dimethyl carbonate 962.18
    n-octane 192.54
    formamide 786.29
    cyclopentanone 5726.01
    2-pentanone 5238.55
    anisole 2381.45
    cyclopentyl methyl ether 3742.23
    gamma-butyrolactone 5109.85
    1-methoxy-2-propanol 2515.99
    pyridine 7609.33
    3-pentanone 3323.84
    furfural 3888.54
    n-dodecane 116.39
    diethylene glycol 1165.64
    diisopropyl ether 1733.24
    tert-amyl alcohol 3176.5
    acetylacetone 3747.6
    n-hexadecane 143.09
    acetophenone 1913.74
    methyl propionate 3223.18
    isopentyl acetate 3771.91
    trichloroethylene 11823.23
    n-nonanol 955.74
    cyclohexanol 3429.82
    benzyl alcohol 1670.03
    2-ethylhexanol 1840.69
    isooctanol 926.33
    dipropyl ether 2560.18
    1,2-dichlorobenzene 3198.15
    ethyl lactate 689.04
    propylene carbonate 2788.22
    n-methylformamide 2456.69
    2-pentanol 2853.89
    n-pentane 950.62
    1-propoxy-2-propanol 2381.07
    1-methoxy-2-propyl acetate 2512.94
    2-(2-methoxypropoxy) propanol 1382.56
    mesitylene 1032.66
    ε-caprolactone 5216.85
    p-cymene 726.27
    epichlorohydrin 6013.64
    1,1,1-trichloroethane 6735.08
    2-aminoethanol 752.72
    morpholine-4-carbaldehyde 3357.62
    sulfolane 4001.75
    2,2,4-trimethylpentane 284.29
    2-methyltetrahydrofuran 5527.7
    n-hexyl acetate 2892.13
    isooctane 290.24
    2-(2-butoxyethoxy)ethanol 2138.95
    sec-butyl acetate 1966.82
    tert-butyl acetate 2725.5
    decalin 560.98
    glycerin 524.91
    diglyme 3846.19
    acrylic acid 1493.16
    isopropyl myristate 925.69
    n-butyric acid 4396.26
    acetyl acetate 2342.23
    di(2-ethylhexyl) phthalate 646.32
    ethyl propionate 2507.03
    nitromethane 4165.54
    1,2-diethoxyethane 4544.51
    benzonitrile 3707.45
    trioctyl phosphate 501.51
    1-bromopropane 5688.24
    gamma-valerolactone 5401.01
    n-decanol 661.6
    triethyl phosphate 623.98
    4-methyl-2-pentanol 1352.62
    propionitrile 5207.6
    vinylene carbonate 2652.05
    1,1,2-trichlorotrifluoroethane 2929.72
    DMS 1640.37
    cumene 865.62
    2-octanol 858.05
    2-hexanone 3332.92
    octyl acetate 1133.24
    limonene 1249.57
    1,2-dimethoxyethane 4144.89
    ethyl orthosilicate 662.7
    tributyl phosphate 715.43
    diacetone alcohol 2008.18
    N,N-dimethylaniline 1271.91
    acrylonitrile 4890.16
    aniline 3368.98
    1,3-propanediol 1484.34
    bromobenzene 4887.47
    dibromomethane 7556.37
    1,1,2,2-tetrachloroethane 8701.31
    2-methyl-cyclohexyl acetate 1269.61
    tetrabutyl urea 870.68
    diisobutyl methanol 930.04
    2-phenylethanol 1692.76
    styrene 2526.52
    dioctyl adipate 1091.09
    dimethyl sulfate 1159.28
    ethyl butyrate 2412.26
    methyl lactate 807.51
    butyl lactate 1302.46
    diethyl carbonate 1324.51
    propanediol butyl ether 1363.48
    triethyl orthoformate 1306.9
    p-tert-butyltoluene 671.82
    methyl 4-tert-butylbenzoate 1225.1
    morpholine 6610.05
    tert-butylamine 3213.96
    n-dodecanol 481.83
    dimethoxymethane 2942.25
    ethylene carbonate 2423.33
    cyrene 809.35
    2-ethoxyethyl acetate 2575.9
    2-ethylhexyl acetate 2784.57
    1,2,4-trichlorobenzene 3251.49
    4-methylpyridine 7863.37
    dibutyl ether 2592.92
    2,6-dimethyl-4-heptanol 930.04
    DEF 4658.63
    dimethyl isosorbide 1862.85
    tetrachloroethylene 5403.59
    eugenol 1179.36
    triacetin 1726.72
    span 80 1308.76
    1,4-butanediol 498.61
    1,1-dichloroethane 8804.88
    2-methyl-1-pentanol 1998.64
    methyl formate 1643.53
    2-methyl-1-butanol 3050.93
    n-decane 232.89
    butyronitrile 5962.24
    3,7-dimethyl-1-octanol 1275.87
    1-chlorooctane 1111.43
    1-chlorotetradecane 365.81
    n-nonane 250.35
    undecane 156.32
    tert-butylcyclohexane 471.17
    cyclooctane 462.26
    cyclopentanol 2666.94
    tetrahydropyran 8291.96
    tert-amyl methyl ether 2823.35
    2,5,8-trioxanonane 2062.39
    1-hexene 3655.58
    2-isopropoxyethanol 1393.37
    2,2,2-trifluoroethanol 517.26
    methyl butyrate 3826.35

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
2-Pentylidene cyclohexanone should not be used as a fragrance ingredient.