Hexyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    27948-10-3

    Molecular formula
    C13H24O2

    SMILES
    CCCCCCOC(=O)C1CCCCC1

  • Odor profile

    Fragrance
    Green 76.11%
    Fruity 73.8%
    Herbal 50.8%
    Floral 44.38%
    Sweet 43.48%
    Oily 41.4%
    Apple 41.15%
    Fresh 40.96%
    Waxy 35.83%
    Jasmin 34.38%

     

    Flavor
    Fruity 79.81%
    Green 47.38%
    Waxy 43.89%
    Fruit 42.62%
    Pineapple 41.29%
    Tropical 35.41%
    Apple 34.98%
    Oily 34.72%
    Fatty 31.5%
    Cheese 30.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.39 (neutral)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point

    • 119.58 ˚C est.

  • Synonyms

    • Hexyl cyclohexanecarboxylate
    • 27948-10-3
    • Cyclohexanecarboxylic acid, hexyl ester
    • X2B95HSA5C
    • EINECS 248-744-7
    • AI3-19663
    • DTXSID60182230
    • 1-HEXANOL CYCLOHEXANECARBOXYLATE
    • Cyclohexanecarboxylic acid hexyl ester
    • UNII-X2B95HSA5C
    • 1-hexyl cyclohexanecarboxylate
    • Hexyl cyclohexanecarboxylate #
    • SCHEMBL2059827
    • DTXCID70104721
    • AT38094
    • NS00028390
    • 248-744-7

  • Applications

    Hexyl cyclohexanecarboxylate (CAS 27948-10-3) is used primarily as a fragrance ingredient and odorant, contributing specific scent notes and acting as a fixative in perfumery. It is commonly evaluated for use in cosmetics and personal care products such as perfumes, lotions, and shampoos to build aromatic profiles. It is also employed in household products and air fresheners to impart pleasant accords, and in coatings, inks, and adhesives formulations where fragrance performance or odor masking is desired. In industrial manufacturing of consumer goods, it may serve as a fragrance component, with its use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6004.82
    methanol 5282.59
    isopropanol 5889.78
    water 0.21
    ethyl acetate 8878.41
    n-propanol 5147.79
    acetone 11840.3
    n-butanol 5168.58
    acetonitrile 8721.44
    DMF 7478.61
    toluene 3261.47
    isobutanol 4587.16
    1,4-dioxane 6891.91
    methyl acetate 5729.86
    THF 8631.0
    2-butanone 8184.24
    n-pentanol 2884.4
    sec-butanol 4875.57
    n-hexane 1253.05
    ethylene glycol 261.33
    NMP 5059.52
    cyclohexane 2505.54
    DMSO 5573.25
    n-butyl acetate 7306.33
    n-octanol 1633.31
    chloroform 16364.13
    n-propyl acetate 5593.97
    acetic acid 4090.78
    dichloromethane 15552.31
    cyclohexanone 12404.3
    propylene glycol 600.97
    isopropyl acetate 5781.99
    DMAc 4274.27
    2-ethoxyethanol 2654.87
    isopentanol 4889.79
    n-heptane 542.84
    ethyl formate 4457.78
    1,2-dichloroethane 11326.42
    n-hexanol 3055.29
    2-methoxyethanol 4320.21
    isobutyl acetate 2906.24
    tetrachloromethane 2343.87
    n-pentyl acetate 4249.14
    transcutol 9924.95
    n-heptanol 1428.58
    ethylbenzene 1771.88
    MIBK 3958.46
    2-propoxyethanol 3461.21
    tert-butanol 5836.89
    MTBE 7064.65
    2-butoxyethanol 2289.26
    propionic acid 3466.88
    o-xylene 1713.85
    formic acid 635.54
    diethyl ether 8078.22
    m-xylene 1826.11
    p-xylene 2444.22
    chlorobenzene 6318.26
    dimethyl carbonate 1302.04
    n-octane 255.29
    formamide 1332.47
    cyclopentanone 9148.15
    2-pentanone 8024.56
    anisole 2873.24
    cyclopentyl methyl ether 4939.04
    gamma-butyrolactone 8610.73
    1-methoxy-2-propanol 3505.52
    pyridine 9730.46
    3-pentanone 4657.02
    furfural 6233.3
    n-dodecane 165.23
    diethylene glycol 1477.3
    diisopropyl ether 2175.25
    tert-amyl alcohol 4355.12
    acetylacetone 6013.61
    n-hexadecane 204.01
    acetophenone 2744.37
    methyl propionate 4535.36
    isopentyl acetate 5510.44
    trichloroethylene 17914.47
    n-nonanol 1315.91
    cyclohexanol 5362.42
    benzyl alcohol 2012.89
    2-ethylhexanol 2065.56
    isooctanol 1309.31
    dipropyl ether 3112.4
    1,2-dichlorobenzene 4707.47
    ethyl lactate 1202.02
    propylene carbonate 4941.38
    n-methylformamide 3767.63
    2-pentanol 4190.46
    n-pentane 921.75
    1-propoxy-2-propanol 3149.8
    1-methoxy-2-propyl acetate 3479.16
    2-(2-methoxypropoxy) propanol 1682.68
    mesitylene 1260.34
    ε-caprolactone 9036.22
    p-cymene 970.0
    epichlorohydrin 9785.52
    1,1,1-trichloroethane 10700.9
    2-aminoethanol 1001.94
    morpholine-4-carbaldehyde 4502.09
    sulfolane 7062.88
    2,2,4-trimethylpentane 360.94
    2-methyltetrahydrofuran 8303.04
    n-hexyl acetate 4466.99
    isooctane 328.38
    2-(2-butoxyethoxy)ethanol 2568.98
    sec-butyl acetate 3533.93
    tert-butyl acetate 4380.72
    decalin 699.69
    glycerin 677.81
    diglyme 5161.53
    acrylic acid 2306.67
    isopropyl myristate 1383.12
    n-butyric acid 7752.73
    acetyl acetate 4030.59
    di(2-ethylhexyl) phthalate 912.99
    ethyl propionate 4184.69
    nitromethane 7552.61
    1,2-diethoxyethane 5450.38
    benzonitrile 4757.49
    trioctyl phosphate 722.98
    1-bromopropane 7619.18
    gamma-valerolactone 9329.24
    n-decanol 865.77
    triethyl phosphate 1031.93
    4-methyl-2-pentanol 1992.72
    propionitrile 6724.9
    vinylene carbonate 4351.38
    1,1,2-trichlorotrifluoroethane 4471.51
    DMS 2372.63
    cumene 1072.69
    2-octanol 1302.76
    2-hexanone 4716.52
    octyl acetate 1703.16
    limonene 1668.33
    1,2-dimethoxyethane 6060.9
    ethyl orthosilicate 1014.24
    tributyl phosphate 1054.25
    diacetone alcohol 3010.7
    N,N-dimethylaniline 1641.11
    acrylonitrile 6429.09
    aniline 3461.17
    1,3-propanediol 2247.62
    bromobenzene 7182.3
    dibromomethane 11278.55
    1,1,2,2-tetrachloroethane 13780.03
    2-methyl-cyclohexyl acetate 2092.63
    tetrabutyl urea 1273.24
    diisobutyl methanol 1227.59
    2-phenylethanol 1976.92
    styrene 2679.96
    dioctyl adipate 1667.04
    dimethyl sulfate 1627.92
    ethyl butyrate 3878.42
    methyl lactate 1247.91
    butyl lactate 2146.68
    diethyl carbonate 2139.89
    propanediol butyl ether 1788.94
    triethyl orthoformate 2053.91
    p-tert-butyltoluene 873.78
    methyl 4-tert-butylbenzoate 1862.5
    morpholine 8781.41
    tert-butylamine 4011.48
    n-dodecanol 614.88
    dimethoxymethane 3770.0
    ethylene carbonate 4229.61
    cyrene 1140.71
    2-ethoxyethyl acetate 3751.28
    2-ethylhexyl acetate 4020.81
    1,2,4-trichlorobenzene 4788.24
    4-methylpyridine 9006.25
    dibutyl ether 3726.29
    2,6-dimethyl-4-heptanol 1227.59
    DEF 6794.77
    dimethyl isosorbide 2600.79
    tetrachloroethylene 8263.76
    eugenol 1683.36
    triacetin 2519.52
    span 80 1734.77
    1,4-butanediol 758.33
    1,1-dichloroethane 13595.41
    2-methyl-1-pentanol 2621.17
    methyl formate 2451.52
    2-methyl-1-butanol 4104.07
    n-decane 339.08
    butyronitrile 8730.74
    3,7-dimethyl-1-octanol 1696.54
    1-chlorooctane 1640.37
    1-chlorotetradecane 493.13
    n-nonane 362.59
    undecane 222.08
    tert-butylcyclohexane 566.56
    cyclooctane 571.59
    cyclopentanol 4485.17
    tetrahydropyran 11222.41
    tert-amyl methyl ether 3785.46
    2,5,8-trioxanonane 2772.51
    1-hexene 4050.16
    2-isopropoxyethanol 2036.21
    2,2,2-trifluoroethanol 1034.01
    methyl butyrate 6668.33

    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