Cyclohexyl hexanoate

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  • Identifiers

    CAS number
    6243-10-3

    Molecular formula
    C12H22O2

    SMILES
    CCCCCC(=O)OC1CCCCC1

  • Odor profile

    Fruity 93.66%
    Pineapple 56.66%
    Sweet 53.57%
    Apple 49.72%
    Green 47.31%
    Winey 41.47%
    Waxy 37.8%
    Apricot 36.7%
    Banana 35.69%
    Oily 35.13%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.59 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point est.
    112.2 ˚C

  • Synonyms

    • Cyclohexyl hexanoate
    • 6243-10-3
    • Cyclohexyl caproate
    • Hexanoic acid, cyclohexyl ester
    • Cyclohexyl n-hexanoate
    • V3B77J8GNH
    • NSC-53960
    • UNII-V3B77J8GNH
    • DTXSID20211474
    • EINECS 228-354-3
    • NSC 53960
    • AI3-06044
    • Hexanoic acid cyclohexyl ester
    • MFCD00046356
    • SCHEMBL163812
    • DTXCID20133965
    • NSC53960
    • AKOS030590585
    • AS-47929
    • NS00043835
    • F17023
    • Q27291486
    • 228-354-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3425.38
    methanol 3052.65
    isopropanol 2911.67
    water 0.15
    ethyl acetate 3769.24
    n-propanol 2619.15
    acetone 5094.19
    n-butanol 2506.03
    acetonitrile 3272.87
    DMF 3338.14
    toluene 1604.16
    isobutanol 2122.26
    1,4-dioxane 3666.21
    methyl acetate 2378.44
    THF 5400.74
    2-butanone 3212.47
    n-pentanol 1521.81
    sec-butanol 2341.01
    n-hexane 674.87
    ethylene glycol 199.29
    NMP 2645.7
    cyclohexane 1284.66
    DMSO 3400.58
    n-butyl acetate 3434.73
    n-octanol 846.83
    chloroform 8708.84
    n-propyl acetate 2178.51
    acetic acid 2255.22
    dichloromethane 7928.62
    cyclohexanone 5321.1
    propylene glycol 444.33
    isopropyl acetate 2539.8
    DMAc 2126.94
    2-ethoxyethanol 1326.71
    isopentanol 2304.72
    n-heptane 310.42
    ethyl formate 1880.12
    1,2-dichloroethane 4881.41
    n-hexanol 1859.78
    2-methoxyethanol 2153.92
    isobutyl acetate 1338.13
    tetrachloromethane 1052.44
    n-pentyl acetate 1748.17
    transcutol 5300.76
    n-heptanol 733.45
    ethylbenzene 854.19
    MIBK 1783.13
    2-propoxyethanol 2043.84
    tert-butanol 2903.27
    MTBE 2930.3
    2-butoxyethanol 1159.12
    propionic acid 1737.41
    o-xylene 830.13
    formic acid 387.6
    diethyl ether 3333.13
    m-xylene 910.41
    p-xylene 1182.51
    chlorobenzene 2760.08
    dimethyl carbonate 609.69
    n-octane 135.68
    formamide 665.41
    cyclopentanone 4439.25
    2-pentanone 3175.97
    anisole 1424.44
    cyclopentyl methyl ether 2547.77
    gamma-butyrolactone 4256.42
    1-methoxy-2-propanol 1806.16
    pyridine 4545.81
    3-pentanone 1878.47
    furfural 3060.77
    n-dodecane 99.94
    diethylene glycol 1010.05
    diisopropyl ether 1008.83
    tert-amyl alcohol 2151.27
    acetylacetone 2887.74
    n-hexadecane 120.84
    acetophenone 1337.77
    methyl propionate 1896.99
    isopentyl acetate 2766.87
    trichloroethylene 7873.72
    n-nonanol 717.41
    cyclohexanol 2522.28
    benzyl alcohol 1058.24
    2-ethylhexanol 1160.34
    isooctanol 635.92
    dipropyl ether 1563.12
    1,2-dichlorobenzene 2144.56
    ethyl lactate 595.23
    propylene carbonate 2513.66
    n-methylformamide 1529.59
    2-pentanol 1965.77
    n-pentane 478.69
    1-propoxy-2-propanol 1752.43
    1-methoxy-2-propyl acetate 1834.97
    2-(2-methoxypropoxy) propanol 1064.12
    mesitylene 608.14
    ε-caprolactone 3937.71
    p-cymene 512.98
    epichlorohydrin 4617.66
    1,1,1-trichloroethane 4512.94
    2-aminoethanol 646.13
    morpholine-4-carbaldehyde 2404.0
    sulfolane 3722.31
    2,2,4-trimethylpentane 184.78
    2-methyltetrahydrofuran 4282.75
    n-hexyl acetate 2215.17
    isooctane 166.04
    2-(2-butoxyethoxy)ethanol 1543.88
    sec-butyl acetate 1484.94
    tert-butyl acetate 2066.48
    decalin 391.55
    glycerin 472.61
    diglyme 2773.29
    acrylic acid 1182.52
    isopropyl myristate 772.48
    n-butyric acid 3711.48
    acetyl acetate 1978.09
    di(2-ethylhexyl) phthalate 589.49
    ethyl propionate 1706.16
    nitromethane 3354.04
    1,2-diethoxyethane 2499.33
    benzonitrile 2191.48
    trioctyl phosphate 433.03
    1-bromopropane 3538.21
    gamma-valerolactone 4394.69
    n-decanol 493.97
    triethyl phosphate 581.42
    4-methyl-2-pentanol 998.92
    propionitrile 2732.01
    vinylene carbonate 2147.97
    1,1,2-trichlorotrifluoroethane 2336.41
    DMS 1259.27
    cumene 539.73
    2-octanol 595.51
    2-hexanone 2042.05
    octyl acetate 927.17
    limonene 908.44
    1,2-dimethoxyethane 3030.9
    ethyl orthosilicate 568.53
    tributyl phosphate 610.94
    diacetone alcohol 1566.92
    N,N-dimethylaniline 853.36
    acrylonitrile 2647.52
    aniline 1663.13
    1,3-propanediol 1246.56
    bromobenzene 3246.89
    dibromomethane 5685.68
    1,1,2,2-tetrachloroethane 6305.84
    2-methyl-cyclohexyl acetate 1134.45
    tetrabutyl urea 708.33
    diisobutyl methanol 660.69
    2-phenylethanol 1143.98
    styrene 1302.07
    dioctyl adipate 1011.92
    dimethyl sulfate 805.57
    ethyl butyrate 1824.02
    methyl lactate 669.43
    butyl lactate 1063.71
    diethyl carbonate 1075.99
    propanediol butyl ether 1037.02
    triethyl orthoformate 1037.51
    p-tert-butyltoluene 473.32
    methyl 4-tert-butylbenzoate 1003.92
    morpholine 4438.48
    tert-butylamine 1982.77
    n-dodecanol 368.02
    dimethoxymethane 1884.41
    ethylene carbonate 2106.07
    cyrene 716.22
    2-ethoxyethyl acetate 1708.34
    2-ethylhexyl acetate 1963.85
    1,2,4-trichlorobenzene 2281.24
    4-methylpyridine 3969.1
    dibutyl ether 1718.63
    2,6-dimethyl-4-heptanol 660.69
    DEF 2674.89
    dimethyl isosorbide 1631.21
    tetrachloroethylene 3829.43
    eugenol 932.09
    triacetin 1419.97
    span 80 1153.51
    1,4-butanediol 463.36
    1,1-dichloroethane 5732.22
    2-methyl-1-pentanol 1335.98
    methyl formate 1054.9
    2-methyl-1-butanol 1909.25
    n-decane 192.31
    butyronitrile 3605.41
    3,7-dimethyl-1-octanol 906.26
    1-chlorooctane 813.48
    1-chlorotetradecane 281.66
    n-nonane 197.41
    undecane 131.35
    tert-butylcyclohexane 310.27
    cyclooctane 294.19
    cyclopentanol 2297.03
    tetrahydropyran 5374.97
    tert-amyl methyl ether 1660.05
    2,5,8-trioxanonane 1758.74
    1-hexene 2090.84
    2-isopropoxyethanol 1080.77
    2,2,2-trifluoroethanol 501.86
    methyl butyrate 2639.66

    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