2-Octylcyclopentanone

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  • Identifiers

    CAS number
    40566-23-2

    Molecular formula
    C13H24O

    SMILES
    CCCCCCCCC1CCCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 79.07%
    Jasmin 70.64%
    Floral 65.32%
    Waxy 57.57%
    Peach 54.12%
    Oily 50.93%
    Coconut 48.79%
    Green 48.01%
    Fresh 47.68%
    Fatty 47.6%

     

    Flavor
    Fatty 55.13%
    Waxy 54.78%
    Fruity 45.73%
    Fresh 43.78%
    Creamy 38.53%
    Coconut 38.08%
    Oily 36.89%
    Sweet 36.46%
    Peach 36.2%
    Fat 35.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.26 (weak base)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    278°C

    Flash point

    • 107.23 ˚C est.

  • Synonyms

    • 2-Octylcyclopentanone
    • 2-Octylcyclopentan-1-one
    • 40566-23-2
    • Cyclopentanone, 2-octyl-
    • DTXSID80339784
    • a-octylcyclopentanone
    • SCHEMBL486901
    • DTXCID20290865
    • QBA56623
    • AKOS003238660
    • AKOS017418748
    • CS-0236640
    • NS00096179
    • EN300-1721135
    • Z813018306

  • Applications

    2-Octylcyclopentanone (CAS 40566-23-2) is primarily used in perfumery and cosmetics as a fragrance ingredient and odorant, and functions as a fragrance fixative to extend scent life in perfume formulations and personal care products. It is also employed as an intermediate in the synthesis of other fragrance compounds for industrial fragrance applications. Additionally, the compound may be present in household products and cleaning formulations as a scent component. In some cases, it is evaluated for use in polymer or plastics-related formulations as a fragrance-related additive; all uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11183.16
    methanol 7220.34
    isopropanol 12523.26
    water 0.08
    ethyl acetate 21136.57
    n-propanol 9821.56
    acetone 20674.18
    n-butanol 9598.26
    acetonitrile 15140.72
    DMF 7905.77
    toluene 5272.55
    isobutanol 7893.74
    1,4-dioxane 14496.08
    methyl acetate 10666.41
    THF 17251.09
    2-butanone 15695.99
    n-pentanol 5596.18
    sec-butanol 9000.84
    n-hexane 2996.43
    ethylene glycol 357.6
    NMP 4161.04
    cyclohexane 3670.64
    DMSO 6867.1
    n-butyl acetate 15641.18
    n-octanol 2258.57
    chloroform 21039.09
    n-propyl acetate 13227.48
    acetic acid 4172.52
    dichloromethane 20007.83
    cyclohexanone 17552.07
    propylene glycol 958.07
    isopropyl acetate 13425.99
    DMAc 4987.23
    2-ethoxyethanol 5641.5
    isopentanol 9358.69
    n-heptane 1232.86
    ethyl formate 7098.69
    1,2-dichloroethane 13207.55
    n-hexanol 5851.09
    2-methoxyethanol 8651.51
    isobutyl acetate 7029.88
    tetrachloromethane 3705.32
    n-pentyl acetate 7219.31
    transcutol 19092.55
    n-heptanol 2324.26
    ethylbenzene 2827.31
    MIBK 8280.76
    2-propoxyethanol 7730.29
    tert-butanol 11876.68
    MTBE 17929.34
    2-butoxyethanol 4273.57
    propionic acid 4753.3
    o-xylene 2334.35
    formic acid 541.6
    diethyl ether 21158.63
    m-xylene 2831.12
    p-xylene 3439.16
    chlorobenzene 6754.48
    dimethyl carbonate 1716.56
    n-octane 456.17
    formamide 1154.08
    cyclopentanone 12526.34
    2-pentanone 16553.91
    anisole 5082.75
    cyclopentyl methyl ether 9603.89
    gamma-butyrolactone 10690.6
    1-methoxy-2-propanol 7567.58
    pyridine 13497.11
    3-pentanone 8711.85
    furfural 7158.18
    n-dodecane 228.46
    diethylene glycol 2480.36
    diisopropyl ether 5717.1
    tert-amyl alcohol 8120.38
    acetylacetone 10596.94
    n-hexadecane 284.98
    acetophenone 3924.18
    methyl propionate 8581.38
    isopentyl acetate 12119.37
    trichloroethylene 19230.35
    n-nonanol 1920.69
    cyclohexanol 8045.68
    benzyl alcohol 2997.26
    2-ethylhexanol 4107.64
    isooctanol 2221.14
    dipropyl ether 8565.28
    1,2-dichlorobenzene 5181.02
    ethyl lactate 1948.65
    propylene carbonate 6650.54
    n-methylformamide 3932.31
    2-pentanol 7908.44
    n-pentane 1862.37
    1-propoxy-2-propanol 7114.41
    1-methoxy-2-propyl acetate 8026.08
    2-(2-methoxypropoxy) propanol 2704.69
    mesitylene 1913.32
    ε-caprolactone 12917.18
    p-cymene 1492.84
    epichlorohydrin 13772.53
    1,1,1-trichloroethane 14264.52
    2-aminoethanol 1546.32
    morpholine-4-carbaldehyde 6662.95
    sulfolane 7273.58
    2,2,4-trimethylpentane 613.19
    2-methyltetrahydrofuran 16747.75
    n-hexyl acetate 7398.34
    isooctane 661.11
    2-(2-butoxyethoxy)ethanol 4272.88
    sec-butyl acetate 8434.54
    tert-butyl acetate 10666.91
    decalin 1109.14
    glycerin 950.1
    diglyme 9404.47
    acrylic acid 2346.43
    isopropyl myristate 2221.64
    n-butyric acid 12177.67
    acetyl acetate 7081.48
    di(2-ethylhexyl) phthalate 1207.5
    ethyl propionate 8997.65
    nitromethane 8521.93
    1,2-diethoxyethane 13271.51
    benzonitrile 6225.38
    trioctyl phosphate 932.58
    1-bromopropane 12627.09
    gamma-valerolactone 14220.71
    n-decanol 1232.29
    triethyl phosphate 1619.45
    4-methyl-2-pentanol 3690.12
    propionitrile 12909.65
    vinylene carbonate 5220.75
    1,1,2-trichlorotrifluoroethane 5429.02
    DMS 3463.13
    cumene 1603.38
    2-octanol 1916.61
    2-hexanone 10480.52
    octyl acetate 2334.91
    limonene 2755.88
    1,2-dimethoxyethane 14615.4
    ethyl orthosilicate 1758.16
    tributyl phosphate 1446.92
    diacetone alcohol 5896.68
    N,N-dimethylaniline 2361.75
    acrylonitrile 9955.52
    aniline 5114.66
    1,3-propanediol 3681.4
    bromobenzene 7667.44
    dibromomethane 15010.48
    1,1,2,2-tetrachloroethane 14345.91
    2-methyl-cyclohexyl acetate 3522.61
    tetrabutyl urea 1618.98
    diisobutyl methanol 2304.57
    2-phenylethanol 3129.38
    styrene 4330.56
    dioctyl adipate 2418.94
    dimethyl sulfate 1770.46
    ethyl butyrate 8918.1
    methyl lactate 1859.99
    butyl lactate 3159.11
    diethyl carbonate 4018.18
    propanediol butyl ether 2633.52
    triethyl orthoformate 4502.04
    p-tert-butyltoluene 1410.99
    methyl 4-tert-butylbenzoate 2432.96
    morpholine 18952.56
    tert-butylamine 8475.94
    n-dodecanol 883.26
    dimethoxymethane 7116.08
    ethylene carbonate 6132.3
    cyrene 1516.98
    2-ethoxyethyl acetate 7133.11
    2-ethylhexyl acetate 8137.73
    1,2,4-trichlorobenzene 5246.56
    4-methylpyridine 13776.62
    dibutyl ether 7373.31
    2,6-dimethyl-4-heptanol 2304.57
    DEF 11156.24
    dimethyl isosorbide 3908.14
    tetrachloroethylene 9174.19
    eugenol 2101.05
    triacetin 3765.95
    span 80 2357.95
    1,4-butanediol 1094.9
    1,1-dichloroethane 17839.29
    2-methyl-1-pentanol 4836.94
    methyl formate 2508.32
    2-methyl-1-butanol 7274.34
    n-decane 523.5
    butyronitrile 15690.04
    3,7-dimethyl-1-octanol 2821.73
    1-chlorooctane 2164.21
    1-chlorotetradecane 665.91
    n-nonane 588.78
    undecane 322.11
    tert-butylcyclohexane 995.89
    cyclooctane 979.54
    cyclopentanol 6266.67
    tetrahydropyran 22736.36
    tert-amyl methyl ether 8115.24
    2,5,8-trioxanonane 4339.98
    1-hexene 9550.77
    2-isopropoxyethanol 4492.54
    2,2,2-trifluoroethanol 941.05
    methyl butyrate 13553.51

    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