Ethyl cyclohexanecarboxylate

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  • Identifiers

    CAS number
    3289-28-9

    Molecular formula
    C9H16O2

    SMILES
    CCOC(=O)C1CCCCC1

  • Odor profile

    Fruity 89.11%
    Sweet 55.85%
    Apple 52.29%
    Pineapple 49.54%
    Floral 48.11%
    Green 40.4%
    Berry 37.01%
    Banana 35.15%
    Tropical 35.1%
    Ethereal 33.33%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.74 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 82.00 °C. @ 12.00 mm Hg

    Flash point est.
    80.14 ˚C

    Solubility expt.

    • Insoluble in water; soluble in fat
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Ethyl cyclohexanecarboxylate
    • 3289-28-9
    • cyclohexanecarboxylic acid ethyl ester
    • Ethyl hexahydrobenzoate
    • CYCLOHEXANECARBOXYLIC ACID, ETHYL ESTER
    • Ethoxycarbonylcyclohexane
    • Ethyl cyclohexylformate
    • ethyl cyclohexanoate
    • Ethyl cyclohexylcarboxylate
    • FEMA No. 3544
    • Ethyl cyclohexylmethanoate
    • Ethyl cylcohexanecarboxylate
    • NSC 5298
    • EINECS 221-945-7
    • MFCD00041734
    • BRN 2042698
    • UNII-87937T10YQ
    • AI3-07031
    • NSC-5298
    • Ethyl cyclohexanocarboxylate
    • 87937T10YQ
    • DTXSID7062958
    • CHEBI:88965
    • FEMA 3544
    • 4-09-00-00018 (Beilstein Handbook Reference)
    • ETHYL CYCLOHEXANECARBOXYLATE [FHFI]
    • ethyl cyclohexane carboxylate
    • Ethylcyclohexanecarboxylate
    • 2-ethoxycarbonylcyclohexane
    • 4-ethoxycarbonylcyclohexane
    • ethyl cyclohexyl-carboxylate
    • SCHEMBL18888
    • ethyl 2-cyclohexanecarboxylate
    • ethyl 4-cyclohexanecarboxylate
    • DTXCID7038600
    • NSC5298
    • DAA28928
    • AKOS005255069
    • cyclohexane carboxylic acid ethyl ester
    • AS-15352
    • DB-013160
    • CS-0187422
    • NS00022058
    • E77025
    • EN300-155929
    • Q27161060
    • Z53835749
    • 221-945-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2074.2
    methanol 2049.21
    isopropanol 2013.87
    water 2.14
    ethyl acetate 1210.98
    n-propanol 1750.77
    acetone 2138.72
    n-butanol 1561.62
    acetonitrile 2394.16
    DMF 2390.19
    toluene 792.24
    isobutanol 1504.41
    1,4-dioxane 2011.61
    methyl acetate 1227.66
    THF 2220.79
    2-butanone 1591.25
    n-pentanol 1087.5
    sec-butanol 1659.56
    n-hexane 287.91
    ethylene glycol 269.76
    NMP 1885.66
    cyclohexane 519.9
    DMSO 1653.94
    n-butyl acetate 1322.11
    n-octanol 818.94
    chloroform 8286.49
    n-propyl acetate 943.24
    acetic acid 2184.1
    dichloromethane 5997.1
    cyclohexanone 2710.77
    propylene glycol 480.24
    isopropyl acetate 740.76
    DMAc 1298.14
    2-ethoxyethanol 896.36
    isopentanol 1262.26
    n-heptane 162.25
    ethyl formate 1341.92
    1,2-dichloroethane 2976.9
    n-hexanol 1093.21
    2-methoxyethanol 1471.25
    isobutyl acetate 588.65
    tetrachloromethane 1013.8
    n-pentyl acetate 961.36
    transcutol 2344.54
    n-heptanol 627.45
    ethylbenzene 530.8
    MIBK 671.18
    2-propoxyethanol 1108.71
    tert-butanol 1827.88
    MTBE 1124.76
    2-butoxyethanol 824.19
    propionic acid 1647.73
    o-xylene 486.91
    formic acid 487.07
    diethyl ether 1032.91
    m-xylene 490.71
    p-xylene 719.76
    chlorobenzene 2061.75
    dimethyl carbonate 393.68
    n-octane 102.5
    formamide 709.2
    cyclopentanone 2577.45
    2-pentanone 1209.6
    anisole 897.08
    cyclopentyl methyl ether 1068.6
    gamma-butyrolactone 2927.36
    1-methoxy-2-propanol 1082.67
    pyridine 3085.28
    3-pentanone 826.06
    furfural 2566.22
    n-dodecane 91.85
    diethylene glycol 679.96
    diisopropyl ether 328.13
    tert-amyl alcohol 1377.18
    acetylacetone 1083.1
    n-hexadecane 104.8
    acetophenone 889.09
    methyl propionate 884.58
    isopentyl acetate 1069.86
    trichloroethylene 6242.26
    n-nonanol 637.08
    cyclohexanol 1611.74
    benzyl alcohol 857.05
    2-ethylhexanol 641.69
    isooctanol 514.28
    dipropyl ether 574.77
    1,2-dichlorobenzene 1654.43
    ethyl lactate 433.44
    propylene carbonate 1832.52
    n-methylformamide 1571.17
    2-pentanol 1105.41
    n-pentane 241.89
    1-propoxy-2-propanol 904.63
    1-methoxy-2-propyl acetate 715.62
    2-(2-methoxypropoxy) propanol 613.97
    mesitylene 343.63
    ε-caprolactone 2100.74
    p-cymene 329.63
    epichlorohydrin 2792.85
    1,1,1-trichloroethane 3068.53
    2-aminoethanol 694.55
    morpholine-4-carbaldehyde 1588.48
    sulfolane 2724.81
    2,2,4-trimethylpentane 116.02
    2-methyltetrahydrofuran 1911.15
    n-hexyl acetate 1335.96
    isooctane 96.75
    2-(2-butoxyethoxy)ethanol 881.84
    sec-butyl acetate 564.81
    tert-butyl acetate 705.23
    decalin 194.96
    glycerin 535.81
    diglyme 1525.4
    acrylic acid 1422.14
    isopropyl myristate 458.95
    n-butyric acid 2174.52
    acetyl acetate 780.25
    di(2-ethylhexyl) phthalate 373.72
    ethyl propionate 694.34
    nitromethane 2590.33
    1,2-diethoxyethane 892.6
    benzonitrile 1928.98
    trioctyl phosphate 313.73
    1-bromopropane 1983.14
    gamma-valerolactone 2552.74
    n-decanol 436.5
    triethyl phosphate 345.97
    4-methyl-2-pentanol 525.63
    propionitrile 1944.48
    vinylene carbonate 1814.79
    1,1,2-trichlorotrifluoroethane 1869.38
    DMS 663.38
    cumene 352.7
    2-octanol 563.15
    2-hexanone 991.7
    octyl acetate 591.15
    limonene 465.67
    1,2-dimethoxyethane 1543.18
    ethyl orthosilicate 318.9
    tributyl phosphate 382.06
    diacetone alcohol 780.42
    N,N-dimethylaniline 549.71
    acrylonitrile 2326.13
    aniline 1148.88
    1,3-propanediol 1045.22
    bromobenzene 2280.19
    dibromomethane 4333.71
    1,1,2,2-tetrachloroethane 4712.99
    2-methyl-cyclohexyl acetate 573.54
    tetrabutyl urea 478.9
    diisobutyl methanol 382.15
    2-phenylethanol 742.03
    styrene 790.14
    dioctyl adipate 593.34
    dimethyl sulfate 593.66
    ethyl butyrate 794.52
    methyl lactate 510.81
    butyl lactate 691.75
    diethyl carbonate 585.81
    propanediol butyl ether 891.2
    triethyl orthoformate 532.71
    p-tert-butyltoluene 312.61
    methyl 4-tert-butylbenzoate 710.77
    morpholine 2252.63
    tert-butylamine 1239.86
    n-dodecanol 322.4
    dimethoxymethane 861.78
    ethylene carbonate 1535.79
    cyrene 513.88
    2-ethoxyethyl acetate 818.72
    2-ethylhexyl acetate 780.62
    1,2,4-trichlorobenzene 1733.89
    4-methylpyridine 2586.22
    dibutyl ether 835.71
    2,6-dimethyl-4-heptanol 382.15
    DEF 1287.63
    dimethyl isosorbide 887.04
    tetrachloroethylene 3068.2
    eugenol 708.3
    triacetin 822.17
    span 80 692.35
    1,4-butanediol 477.35
    1,1-dichloroethane 3756.21
    2-methyl-1-pentanol 894.93
    methyl formate 1121.27
    2-methyl-1-butanol 1228.3
    n-decane 162.61
    butyronitrile 2354.75
    3,7-dimethyl-1-octanol 655.34
    1-chlorooctane 621.27
    1-chlorotetradecane 226.99
    n-nonane 166.46
    undecane 116.73
    tert-butylcyclohexane 169.93
    cyclooctane 133.71
    cyclopentanol 1753.49
    tetrahydropyran 2234.89
    tert-amyl methyl ether 697.82
    2,5,8-trioxanonane 943.51
    1-hexene 869.65
    2-isopropoxyethanol 627.68
    2,2,2-trifluoroethanol 582.97
    methyl butyrate 1176.38

    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