2-Hexylcyclopentanone

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  • Identifiers

    CAS number
    13074-65-2

    Molecular formula
    C11H20O

    SMILES
    CCCCCCC1CCCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Jasmin 80.22%
    Floral 78.42%
    Fruity 77.86%
    Green 64.78%
    Fresh 52.54%
    Oily 49.98%
    Coconut 49.57%
    Peach 49.37%
    Waxy 49.21%
    Lactonic 48.16%

     

    Flavor
    Fatty 54.28%
    Fresh 52.25%
    Waxy 51.02%
    Fruity 46.91%
    Coconut 41.03%
    Peach 40.55%
    Creamy 39.61%
    Sweet 39.26%
    Oily 38.47%
    Herbal 38.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.56 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point

    • 88.67 ˚C est.

  • Synonyms

    • 2-Hexylcyclopentanone
    • 13074-65-2
    • Cyclopentanone, 2-hexyl-
    • 2-n-Hexylcyclopentanone
    • 2-Hexylcyclopentan-1-one
    • Jasmatone
    • BRN 2041950
    • EINECS 235-970-6
    • 97O72GYM1E
    • 2-hexyl-1-cyclopentanone
    • UNII-97O72GYM1E
    • DTXSID90864355
    • 4-07-00-00099 (Beilstein Handbook Reference)
    • 2-HEXYLCYCLOPENTANONE, (+/-)-
    • Cyclopentanone,2-hexyl-
    • hexylcyclopentanone
    • 2-hexyl-cyclopentan-1-one
    • SCHEMBL715196
    • DTXCID80812885
    • BBL028079
    • MFCD00059516
    • STK709220
    • AKOS005522600
    • VS-08659
    • DB-116806
    • H0570
    • NS00012602
    • EN300-67504
    • F17042
    • Q27272027
    • Z57921382
    • 235-970-6

  • Applications

    2-Hexylcyclopentanone (CAS 13074-65-2) is used primarily as a fragrance ingredient and may act as a fragrance fixative. In cosmetics and personal care, it is commonly formulated as a fragrance component to impart desired odor characteristics. In household products and cleaners, it may be used as an aroma additive to enhance scent profiles. In industrial manufacturing, it is often treated as an intermediate or building block for other fragrance compounds, supporting the synthesis of specialty fragrance chemicals. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14717.55
    methanol 12198.66
    isopropanol 14848.81
    water 0.29
    ethyl acetate 22164.77
    n-propanol 11725.95
    acetone 24568.9
    n-butanol 11528.69
    acetonitrile 19535.99
    DMF 10394.89
    toluene 5520.4
    isobutanol 10010.23
    1,4-dioxane 15772.39
    methyl acetate 11669.81
    THF 17035.8
    2-butanone 15964.79
    n-pentanol 6669.94
    sec-butanol 10030.23
    n-hexane 2758.32
    ethylene glycol 752.93
    NMP 4798.89
    cyclohexane 3021.88
    DMSO 8565.71
    n-butyl acetate 16132.83
    n-octanol 2433.6
    chloroform 23648.29
    n-propyl acetate 12230.93
    acetic acid 6421.87
    dichloromethane 20992.17
    cyclohexanone 16567.88
    propylene glycol 1610.01
    isopropyl acetate 13931.13
    DMAc 5599.87
    2-ethoxyethanol 6417.52
    isopentanol 11631.07
    n-heptane 1002.81
    ethyl formate 8371.52
    1,2-dichloroethane 14275.18
    n-hexanol 7184.3
    2-methoxyethanol 10919.94
    isobutyl acetate 6697.72
    tetrachloromethane 4028.91
    n-pentyl acetate 6706.7
    transcutol 22131.09
    n-heptanol 2543.07
    ethylbenzene 2906.91
    MIBK 8407.9
    2-propoxyethanol 9166.71
    tert-butanol 14935.89
    MTBE 19654.34
    2-butoxyethanol 4509.29
    propionic acid 6263.08
    o-xylene 2397.25
    formic acid 1138.58
    diethyl ether 20311.42
    m-xylene 3047.89
    p-xylene 3541.91
    chlorobenzene 7597.17
    dimethyl carbonate 2182.81
    n-octane 391.18
    formamide 2082.36
    cyclopentanone 12762.85
    2-pentanone 16023.73
    anisole 5331.07
    cyclopentyl methyl ether 9644.09
    gamma-butyrolactone 11975.38
    1-methoxy-2-propanol 8845.14
    pyridine 14694.96
    3-pentanone 8812.61
    furfural 8341.42
    n-dodecane 226.34
    diethylene glycol 3720.95
    diisopropyl ether 5837.93
    tert-amyl alcohol 9304.97
    acetylacetone 11611.77
    n-hexadecane 280.41
    acetophenone 4014.02
    methyl propionate 9532.7
    isopentyl acetate 12300.07
    trichloroethylene 22008.61
    n-nonanol 2037.52
    cyclohexanol 8457.56
    benzyl alcohol 3500.09
    2-ethylhexanol 4436.88
    isooctanol 2296.97
    dipropyl ether 7741.21
    1,2-dichlorobenzene 5511.88
    ethyl lactate 2024.95
    propylene carbonate 7350.03
    n-methylformamide 5676.34
    2-pentanol 8997.41
    n-pentane 1816.41
    1-propoxy-2-propanol 7659.09
    1-methoxy-2-propyl acetate 8763.76
    2-(2-methoxypropoxy) propanol 3063.76
    mesitylene 1977.84
    ε-caprolactone 12737.29
    p-cymene 1439.63
    epichlorohydrin 14711.7
    1,1,1-trichloroethane 14969.42
    2-aminoethanol 2578.38
    morpholine-4-carbaldehyde 7732.23
    sulfolane 8027.34
    2,2,4-trimethylpentane 637.76
    2-methyltetrahydrofuran 16002.3
    n-hexyl acetate 7424.24
    isooctane 706.62
    2-(2-butoxyethoxy)ethanol 4836.85
    sec-butyl acetate 7934.66
    tert-butyl acetate 10626.89
    decalin 1062.18
    glycerin 1610.57
    diglyme 9601.74
    acrylic acid 3524.82
    isopropyl myristate 2084.34
    n-butyric acid 14684.42
    acetyl acetate 7650.25
    di(2-ethylhexyl) phthalate 1259.4
    ethyl propionate 8529.43
    nitromethane 11676.99
    1,2-diethoxyethane 13394.38
    benzonitrile 7307.66
    trioctyl phosphate 968.52
    1-bromopropane 11903.27
    gamma-valerolactone 14763.31
    n-decanol 1362.4
    triethyl phosphate 1470.1
    4-methyl-2-pentanol 4288.63
    propionitrile 14310.05
    vinylene carbonate 6249.25
    1,1,2-trichlorotrifluoroethane 6694.88
    DMS 3782.08
    cumene 1628.35
    2-octanol 2003.45
    2-hexanone 10210.58
    octyl acetate 2281.8
    limonene 2567.88
    1,2-dimethoxyethane 14818.14
    ethyl orthosilicate 1642.73
    tributyl phosphate 1489.38
    diacetone alcohol 6343.02
    N,N-dimethylaniline 2500.12
    acrylonitrile 12436.41
    aniline 6191.87
    1,3-propanediol 5315.92
    bromobenzene 8377.5
    dibromomethane 15611.58
    1,1,2,2-tetrachloroethane 15656.72
    2-methyl-cyclohexyl acetate 3271.68
    tetrabutyl urea 1592.32
    diisobutyl methanol 2395.86
    2-phenylethanol 3735.12
    styrene 4532.19
    dioctyl adipate 2253.32
    dimethyl sulfate 2181.49
    ethyl butyrate 8123.72
    methyl lactate 2309.27
    butyl lactate 3227.77
    diethyl carbonate 3785.35
    propanediol butyl ether 3175.89
    triethyl orthoformate 3957.25
    p-tert-butyltoluene 1375.35
    methyl 4-tert-butylbenzoate 2459.63
    morpholine 19395.46
    tert-butylamine 10459.21
    n-dodecanol 979.55
    dimethoxymethane 8423.92
    ethylene carbonate 6620.48
    cyrene 1627.78
    2-ethoxyethyl acetate 7148.67
    2-ethylhexyl acetate 8031.32
    1,2,4-trichlorobenzene 5607.85
    4-methylpyridine 15377.48
    dibutyl ether 6904.75
    2,6-dimethyl-4-heptanol 2395.86
    DEF 11798.71
    dimethyl isosorbide 4124.51
    tetrachloroethylene 10329.67
    eugenol 2256.48
    triacetin 3682.48
    span 80 2681.94
    1,4-butanediol 1571.3
    1,1-dichloroethane 19501.19
    2-methyl-1-pentanol 5735.47
    methyl formate 3903.44
    2-methyl-1-butanol 8918.61
    n-decane 486.95
    butyronitrile 17079.55
    3,7-dimethyl-1-octanol 3057.55
    1-chlorooctane 2077.02
    1-chlorotetradecane 666.21
    n-nonane 526.29
    undecane 315.36
    tert-butylcyclohexane 1020.68
    cyclooctane 794.88
    cyclopentanol 6777.78
    tetrahydropyran 21384.3
    tert-amyl methyl ether 8571.23
    2,5,8-trioxanonane 4664.16
    1-hexene 9022.72
    2-isopropoxyethanol 5069.77
    2,2,2-trifluoroethanol 1498.48
    methyl butyrate 12662.82

    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