Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester

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  • Identifiers

    CAS number
    37172-54-6

    Molecular formula
    C14H24O3

    SMILES
    CCCCCCC1C(CCC1=O)C(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Floral 89.51%
    Jasmin 79.86%
    Green 73.6%
    Fruity 53.97%
    Herbal 52.54%
    Fresh 50.1%
    Oily 46.05%
    Lactonic 42.19%
    Sweet 40.05%
    Woody 37.53%

     

    Flavor
    Waxy 48.37%
    Oily 45.09%
    Fruity 38.42%
    Floral 37.51%
    Green 37.09%
    Fatty 30.98%
    Tropical 29.73%
    Fresh 29.7%
    Peach 26.52%
    Herbal 26.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.71 (neutral)

    Molecular weight
    240.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 139.79 ˚C est.

  • Synonyms

    • 37172-54-6
    • Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester
    • EINECS 253-380-7
    • DTXSID30885665
    • 2-Hexyl-3-oxo-1-cyclopentanecarboxylic acid, ethyl ester
    • RefChem:129857
    • DTXCID501025030
    • ethyl 2-hexyl-3-oxocyclopentane-1-carboxylate
    • Ethyl 2-hexyl-3-oxocyclopentanecarboxylate
    • ethyl 2-n-hexyl-3-oxo-cyclopentanecarboxylate
    • SCHEMBL15552072
    • NS00057368
    • 37172-54-6

  • Applications

    Applications for cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester (CAS 37172-54-6) are primarily in the fragrance sector, where it is used as a fragrance ingredient or odorant in perfume formulations and aroma blends. It may also find use in cosmetics and personal care as a fragrance component, in household products as a scent additive, and as an industrial intermediate in chemical synthesis for downstream materials such as polymers/plastics, coatings/inks, and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4651.72
    methanol 6586.04
    isopropanol 3624.92
    water 0.72
    ethyl acetate 6684.21
    n-propanol 3497.22
    acetone 7010.27
    n-butanol 3065.31
    acetonitrile 6850.62
    DMF 5481.34
    toluene 1759.1
    isobutanol 2737.99
    1,4-dioxane 4268.15
    methyl acetate 4132.39
    THF 4915.98
    2-butanone 5189.18
    n-pentanol 1795.0
    sec-butanol 2859.94
    n-hexane 81.85
    ethylene glycol 309.52
    NMP 3538.45
    cyclohexane 218.91
    DMSO 4528.61
    n-butyl acetate 3320.66
    n-octanol 424.73
    chloroform 9632.84
    n-propyl acetate 3420.31
    acetic acid 4036.84
    dichloromethane 9138.95
    cyclohexanone 6202.2
    propylene glycol 526.85
    isopropyl acetate 4199.92
    DMAc 3981.74
    2-ethoxyethanol 2584.48
    isopentanol 2826.19
    n-heptane 21.71
    ethyl formate 3267.06
    1,2-dichloroethane 6016.49
    n-hexanol 1216.68
    2-methoxyethanol 4169.73
    isobutyl acetate 1926.48
    tetrachloromethane 976.62
    n-pentyl acetate 1603.44
    transcutol 6291.41
    n-heptanol 444.06
    ethylbenzene 768.1
    MIBK 2392.95
    2-propoxyethanol 2345.36
    tert-butanol 3249.92
    MTBE 3873.71
    2-butoxyethanol 1200.08
    propionic acid 2458.39
    o-xylene 849.77
    formic acid 1059.91
    diethyl ether 3701.58
    m-xylene 953.35
    p-xylene 1068.82
    chlorobenzene 3008.97
    dimethyl carbonate 1091.48
    n-octane 15.19
    formamide 1876.84
    cyclopentanone 5044.39
    2-pentanone 4439.99
    anisole 1867.28
    cyclopentyl methyl ether 2620.97
    gamma-butyrolactone 5989.35
    1-methoxy-2-propanol 2918.96
    pyridine 5404.61
    3-pentanone 2557.2
    furfural 4312.28
    n-dodecane 17.75
    diethylene glycol 1345.75
    diisopropyl ether 801.34
    tert-amyl alcohol 2552.85
    acetylacetone 4215.93
    n-hexadecane 22.21
    acetophenone 1782.79
    methyl propionate 3209.08
    isopentyl acetate 2771.5
    trichloroethylene 10382.71
    n-nonanol 363.08
    cyclohexanol 2380.32
    benzyl alcohol 1577.38
    2-ethylhexanol 639.49
    isooctanol 404.65
    dipropyl ether 631.52
    1,2-dichlorobenzene 2322.98
    ethyl lactate 805.09
    propylene carbonate 3388.26
    n-methylformamide 3187.81
    2-pentanol 1870.13
    n-pentane 72.93
    1-propoxy-2-propanol 1551.44
    1-methoxy-2-propyl acetate 2206.78
    2-(2-methoxypropoxy) propanol 910.94
    mesitylene 531.25
    ε-caprolactone 5259.27
    p-cymene 315.17
    epichlorohydrin 6501.87
    1,1,1-trichloroethane 5240.35
    2-aminoethanol 1031.1
    morpholine-4-carbaldehyde 3514.97
    sulfolane 4201.17
    2,2,4-trimethylpentane 77.61
    2-methyltetrahydrofuran 4609.59
    n-hexyl acetate 1787.03
    isooctane 56.82
    2-(2-butoxyethoxy)ethanol 1397.94
    sec-butyl acetate 2254.67
    tert-butyl acetate 2904.53
    decalin 136.27
    glycerin 697.45
    diglyme 2894.08
    acrylic acid 1754.94
    isopropyl myristate 437.9
    n-butyric acid 5238.69
    acetyl acetate 3196.12
    di(2-ethylhexyl) phthalate 440.87
    ethyl propionate 2408.08
    nitromethane 6947.19
    1,2-diethoxyethane 2377.28
    benzonitrile 2748.25
    trioctyl phosphate 274.66
    1-bromopropane 2954.15
    gamma-valerolactone 6186.9
    n-decanol 237.02
    triethyl phosphate 481.88
    4-methyl-2-pentanol 882.1
    propionitrile 3909.8
    vinylene carbonate 2996.93
    1,1,2-trichlorotrifluoroethane 3398.55
    DMS 1460.08
    cumene 453.71
    2-octanol 339.14
    2-hexanone 2499.12
    octyl acetate 559.77
    limonene 471.39
    1,2-dimethoxyethane 4183.6
    ethyl orthosilicate 471.42
    tributyl phosphate 437.85
    diacetone alcohol 2182.32
    N,N-dimethylaniline 901.16
    acrylonitrile 4343.2
    aniline 2246.87
    1,3-propanediol 2055.83
    bromobenzene 3355.02
    dibromomethane 5594.59
    1,1,2,2-tetrachloroethane 7826.44
    2-methyl-cyclohexyl acetate 890.54
    tetrabutyl urea 484.41
    diisobutyl methanol 346.72
    2-phenylethanol 1159.87
    styrene 1261.09
    dioctyl adipate 638.69
    dimethyl sulfate 1428.12
    ethyl butyrate 1553.71
    methyl lactate 997.7
    butyl lactate 1001.0
    diethyl carbonate 952.79
    propanediol butyl ether 960.19
    triethyl orthoformate 805.75
    p-tert-butyltoluene 288.1
    methyl 4-tert-butylbenzoate 911.04
    morpholine 6109.13
    tert-butylamine 1661.07
    n-dodecanol 168.98
    dimethoxymethane 2792.84
    ethylene carbonate 2964.16
    cyrene 836.1
    2-ethoxyethyl acetate 2199.53
    2-ethylhexyl acetate 1882.21
    1,2,4-trichlorobenzene 2536.36
    4-methylpyridine 5994.74
    dibutyl ether 746.57
    2,6-dimethyl-4-heptanol 346.72
    DEF 4322.07
    dimethyl isosorbide 1460.37
    tetrachloroethylene 4468.31
    eugenol 932.54
    triacetin 1342.56
    span 80 748.45
    1,4-butanediol 719.21
    1,1-dichloroethane 7084.04
    2-methyl-1-pentanol 1711.81
    methyl formate 2189.75
    2-methyl-1-butanol 2527.6
    n-decane 31.87
    butyronitrile 4571.29
    3,7-dimethyl-1-octanol 534.89
    1-chlorooctane 296.89
    1-chlorotetradecane 100.41
    n-nonane 26.89
    undecane 22.32
    tert-butylcyclohexane 108.13
    cyclooctane 44.81
    cyclopentanol 2247.99
    tetrahydropyran 5233.96
    tert-amyl methyl ether 1946.79
    2,5,8-trioxanonane 1489.25
    1-hexene 719.21
    2-isopropoxyethanol 1788.3
    2,2,2-trifluoroethanol 1196.76
    methyl butyrate 3808.86

    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