2-Heptylcyclopentanone

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  • Identifiers

    CAS number
    137-03-1

    Molecular formula
    C12H22O

    SMILES
    CCCCCCCC1CCCC1=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 80.89%
    Jasmin 76.56%
    Floral 72.9%
    Green 57.22%
    Waxy 54.5%
    Peach 54.1%
    Oily 50.86%
    Fresh 50.61%
    Coconut 50.18%
    Lactonic 47.63%

     

    Flavor
    Fatty 55.24%
    Waxy 53.69%
    Fresh 48.36%
    Fruity 47.56%
    Creamy 39.75%
    Coconut 39.71%
    Peach 39.01%
    Sweet 38.58%
    Oily 38.09%
    Fat 35.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.38 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 97.1 ˚C est.

  • Synonyms

    • 2-HEPTYLCYCLOPENTANONE
    • 137-03-1
    • 2-n-Heptylcyclopentanone
    • 2-Heptylcyclopentan-1-one
    • Cyclopentanone, 2-heptyl-
    • Alismone
    • Cyclopentanone, 2-n-heptyl-
    • alpha-Heptyl cyclopentanone
    • alpha-Heptylcyclopentanone
    • 2-n-Heptyl cyclopentanone
    • NSC 78468
    • 2-(n-Heptyl)cyclopentanone
    • EINECS 205-273-1
    • BRN 2043445
    • FLEURAMONE
    • FRUTALONE
    • DTXSID8044547
    • 4984B2X8AH
    • NSC-78468
    • 71607-27-7
    • DTXCID6024547
    • 4-07-00-00104 (Beilstein Handbook Reference)
    • (+/-)-2-HEPTYLCYCLOPENTANONE
    • 2-HEPTYLCYCLOPENTANONE, (+/-)-
    • Heptylcyclopentan-1-one
    • UNII-4984B2X8AH
    • EINECS 275-671-8
    • MFCD00019315
    • 2-heptyl-cyclopentanone
    • WLN: AL5VTJ B7
    • .alpha.-Heptylcyclopentanone
    • WLN: L5VTJ B7
    • .alpha.-Heptyl cyclopentanone
    • SCHEMBL115579
    • CHEMBL3185887
    • NSC78468
    • Tox21_301923
    • BBL027851
    • STL352088
    • 2-HEPTYLCYCLOPENTANONE [INCI]
    • AKOS009157543
    • NCGC00255823-01
    • CAS-137-03-1
    • VS-08602
    • DB-042372
    • H0569
    • NS00012522
    • D90905
    • Q27259247
    • 205-273-1

  • Applications

    2-Heptylcyclopentanone (CAS 137-03-1) is principally used in fragrance-related applications, where it can function as an odorant and/or a fixative in perfumery. It is also considered a chemical intermediate in the synthesis of aroma compounds for cosmetics and personal care products, and may serve as a fragrance component in household products. In coatings and inks, it can be used as a fragrance additive to impart or enhance scent. In industrial manufacturing, it may act as an intermediate for the preparation of additional fragrance-related compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14568.84
    methanol 10754.19
    isopropanol 15486.24
    water 0.17
    ethyl acetate 22504.41
    n-propanol 11733.57
    acetone 24745.7
    n-butanol 11341.93
    acetonitrile 19024.89
    DMF 9693.74
    toluene 5230.45
    isobutanol 9574.55
    1,4-dioxane 15369.68
    methyl acetate 11778.8
    THF 17267.1
    2-butanone 16346.13
    n-pentanol 6494.82
    sec-butanol 10152.01
    n-hexane 2912.2
    ethylene glycol 579.87
    NMP 4564.74
    cyclohexane 3251.43
    DMSO 8332.21
    n-butyl acetate 16389.9
    n-octanol 2481.73
    chloroform 22595.51
    n-propyl acetate 13311.06
    acetic acid 5671.47
    dichloromethane 20984.5
    cyclohexanone 17565.73
    propylene glycol 1377.24
    isopropyl acetate 13924.95
    DMAc 5376.06
    2-ethoxyethanol 6408.37
    isopentanol 11026.4
    n-heptane 1145.67
    ethyl formate 8305.29
    1,2-dichloroethane 13781.65
    n-hexanol 6839.57
    2-methoxyethanol 10466.7
    isobutyl acetate 7022.98
    tetrachloromethane 3810.5
    n-pentyl acetate 7171.32
    transcutol 21444.08
    n-heptanol 2570.58
    ethylbenzene 2829.8
    MIBK 8412.89
    2-propoxyethanol 8839.68
    tert-butanol 14659.53
    MTBE 19323.61
    2-butoxyethanol 4638.03
    propionic acid 5877.66
    o-xylene 2310.79
    formic acid 864.72
    diethyl ether 21292.21
    m-xylene 2872.66
    p-xylene 3458.67
    chlorobenzene 7098.13
    dimethyl carbonate 1941.93
    n-octane 441.16
    formamide 1707.56
    cyclopentanone 13004.74
    2-pentanone 17031.25
    anisole 5177.99
    cyclopentyl methyl ether 9473.14
    gamma-butyrolactone 11655.57
    1-methoxy-2-propanol 8761.73
    pyridine 14244.86
    3-pentanone 8962.04
    furfural 7859.13
    n-dodecane 236.2
    diethylene glycol 3262.4
    diisopropyl ether 5902.83
    tert-amyl alcohol 9154.62
    acetylacetone 11370.71
    n-hexadecane 292.62
    acetophenone 3968.88
    methyl propionate 9401.71
    isopentyl acetate 12427.76
    trichloroethylene 20733.82
    n-nonanol 2071.8
    cyclohexanol 8526.21
    benzyl alcohol 3270.26
    2-ethylhexanol 4460.14
    isooctanol 2356.63
    dipropyl ether 8359.76
    1,2-dichlorobenzene 5199.94
    ethyl lactate 2060.25
    propylene carbonate 7080.88
    n-methylformamide 5192.93
    2-pentanol 8968.48
    n-pentane 1858.46
    1-propoxy-2-propanol 7836.88
    1-methoxy-2-propyl acetate 8504.49
    2-(2-methoxypropoxy) propanol 2956.57
    mesitylene 1903.31
    ε-caprolactone 13042.72
    p-cymene 1464.04
    epichlorohydrin 14279.26
    1,1,1-trichloroethane 14463.13
    2-aminoethanol 2196.75
    morpholine-4-carbaldehyde 7356.18
    sulfolane 7853.29
    2,2,4-trimethylpentane 610.7
    2-methyltetrahydrofuran 16314.74
    n-hexyl acetate 7593.07
    isooctane 683.08
    2-(2-butoxyethoxy)ethanol 4693.4
    sec-butyl acetate 8296.11
    tert-butyl acetate 10722.15
    decalin 1054.63
    glycerin 1324.01
    diglyme 9756.63
    acrylic acid 3087.82
    isopropyl myristate 2176.69
    n-butyric acid 14256.24
    acetyl acetate 7438.65
    di(2-ethylhexyl) phthalate 1242.85
    ethyl propionate 8877.54
    nitromethane 10849.12
    1,2-diethoxyethane 13785.1
    benzonitrile 6902.0
    trioctyl phosphate 969.25
    1-bromopropane 12442.73
    gamma-valerolactone 14965.39
    n-decanol 1350.02
    triethyl phosphate 1525.28
    4-methyl-2-pentanol 4106.2
    propionitrile 14424.74
    vinylene carbonate 5785.11
    1,1,2-trichlorotrifluoroethane 6230.36
    DMS 3623.37
    cumene 1588.84
    2-octanol 2055.75
    2-hexanone 10762.37
    octyl acetate 2375.66
    limonene 2688.48
    1,2-dimethoxyethane 15268.16
    ethyl orthosilicate 1680.84
    tributyl phosphate 1491.52
    diacetone alcohol 6221.76
    N,N-dimethylaniline 2379.94
    acrylonitrile 11813.2
    aniline 5689.38
    1,3-propanediol 4858.14
    bromobenzene 7890.69
    dibromomethane 15672.19
    1,1,2,2-tetrachloroethane 14976.99
    2-methyl-cyclohexyl acetate 3392.3
    tetrabutyl urea 1625.32
    diisobutyl methanol 2403.09
    2-phenylethanol 3456.42
    styrene 4374.33
    dioctyl adipate 2381.78
    dimethyl sulfate 1963.03
    ethyl butyrate 8736.16
    methyl lactate 2153.01
    butyl lactate 3340.89
    diethyl carbonate 3971.18
    propanediol butyl ether 3080.98
    triethyl orthoformate 4247.67
    p-tert-butyltoluene 1390.61
    methyl 4-tert-butylbenzoate 2459.1
    morpholine 19713.61
    tert-butylamine 10129.29
    n-dodecanol 967.56
    dimethoxymethane 8095.01
    ethylene carbonate 6481.2
    cyrene 1588.71
    2-ethoxyethyl acetate 7296.02
    2-ethylhexyl acetate 8134.49
    1,2,4-trichlorobenzene 5349.95
    4-methylpyridine 14820.05
    dibutyl ether 7443.68
    2,6-dimethyl-4-heptanol 2403.09
    DEF 11722.26
    dimethyl isosorbide 4006.41
    tetrachloroethylene 9673.96
    eugenol 2186.7
    triacetin 3790.51
    span 80 2590.56
    1,4-butanediol 1436.1
    1,1-dichloroethane 19001.82
    2-methyl-1-pentanol 5406.93
    methyl formate 3414.95
    2-methyl-1-butanol 8376.79
    n-decane 526.27
    butyronitrile 17590.71
    3,7-dimethyl-1-octanol 3019.12
    1-chlorooctane 2177.88
    1-chlorotetradecane 681.72
    n-nonane 585.81
    undecane 332.32
    tert-butylcyclohexane 989.98
    cyclooctane 864.07
    cyclopentanol 6804.4
    tetrahydropyran 22245.46
    tert-amyl methyl ether 8407.37
    2,5,8-trioxanonane 4590.95
    1-hexene 9602.35
    2-isopropoxyethanol 4986.69
    2,2,2-trifluoroethanol 1259.39
    methyl butyrate 13503.16

    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