3-Cyclohexene-1-carboxylic acid, ethyl ester

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  • Identifiers

    CAS number
    15111-56-5

    Molecular formula
    C9H14O2

    SMILES
    CCOC(=O)C1CCC=CC1

  • Odor profile

    Fragrance
    Fruity 92.01%
    Sweet 67.83%
    Floral 67.58%
    Pineapple 46.04%
    Green 41.74%
    Apple 41.41%
    Berry 37.13%
    Tropical 37.0%
    Plum 34.89%
    Rose 33.39%

     

    Flavor
    Fruity 76.98%
    Fruit 44.24%
    Pineapple 43.21%
    Berry 31.81%
    Cheese 29.72%
    Apple 23.56%
    Strawberry 21.56%
    Tropical 21.34%
    Grape 20.89%
    Plant 20.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.3 (neutral)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    197°C

    Flash point

    • 83.3 ˚C est.

  • Synonyms

    • 15111-56-5
    • Ethyl cyclohex-3-ene-1-carboxylate
    • 3-Cyclohexene-1-carboxylic Acid Ethyl Ester
    • 3-Cyclohexene-1-carboxylic acid, ethyl ester
    • Ethyl 3-cyclohexene-1-carboxylate
    • Ethyl 3-cyclohexenecarboxylate
    • G0CLB7H7AT
    • EINECS 239-161-9
    • AI3-33091
    • 3-Cyclhexene-1-carboxylic acid, ethyl ester
    • DTXSID90864557
    • 3-CYCLOHEXENE-1-CARBOXYLICACIDETHYLESTER
    • UNII-G0CLB7H7AT
    • ginsene
    • Ethyl 3-cyclohexencarboxylate
    • ethylcyclohexene-1-carboxylate
    • SCHEMBL472121
    • ethyl 3-cyclohexenylcarboxylate
    • DTXCID90813060
    • Ethyl-3-cyclohexene-1-carboxylate
    • Ethylcyclohex-3-ene-1-carboxylate
    • Ethyl 3-cyclohexene-1-carboxylate #
    • MFCD00037158
    • BS-21533
    • ethyl ester3-cyclohexene-1-carboxylic acid
    • CS-0446969
    • NS00012386
    • D89336
    • Q27278453
    • 239-161-9

  • Applications

    Ethyl 3-cyclohexene-1-carboxylate (CAS 15111-56-5) is primarily used as a synthetic intermediate in the chemical industry. In fragrance and cosmetic fields, it is viewed as a building block for fragrance compounds and aroma ingredients, and can be converted into aroma derivatives or used as a base for other fragrance components. As an unsaturated ester, it is also a precursor for specialty polymers and coatings, including resins and UV-curable systems that enable crosslinking or functionalization. Additionally, it is used as an intermediate in pharmaceutical and agrochemical research to access more complex cyclohexene-derived structures. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 876.26
    methanol 987.28
    isopropanol 765.75
    water 2.12
    ethyl acetate 507.9
    n-propanol 671.49
    acetone 766.05
    n-butanol 642.83
    acetonitrile 940.83
    DMF 1117.93
    toluene 373.55
    isobutanol 582.22
    1,4-dioxane 950.5
    methyl acetate 528.73
    THF 952.53
    2-butanone 644.12
    n-pentanol 561.4
    sec-butanol 663.94
    n-hexane 125.73
    ethylene glycol 149.1
    NMP 996.55
    cyclohexane 192.2
    DMSO 996.2
    n-butyl acetate 548.74
    n-octanol 444.3
    chloroform 3426.35
    n-propyl acetate 432.35
    acetic acid 984.52
    dichloromethane 2755.94
    cyclohexanone 994.86
    propylene glycol 233.83
    isopropyl acetate 329.88
    DMAc 712.41
    2-ethoxyethanol 526.43
    isopentanol 592.5
    n-heptane 72.58
    ethyl formate 502.48
    1,2-dichloroethane 1269.09
    n-hexanol 537.13
    2-methoxyethanol 703.16
    isobutyl acetate 271.46
    tetrachloromethane 386.35
    n-pentyl acetate 415.2
    transcutol 1678.77
    n-heptanol 306.29
    ethylbenzene 272.0
    MIBK 336.86
    2-propoxyethanol 610.82
    tert-butanol 815.62
    MTBE 500.11
    2-butoxyethanol 427.58
    propionic acid 699.32
    o-xylene 274.0
    formic acid 247.86
    diethyl ether 466.69
    m-xylene 278.01
    p-xylene 365.34
    chlorobenzene 832.7
    dimethyl carbonate 206.58
    n-octane 49.19
    formamide 357.28
    cyclopentanone 1001.99
    2-pentanone 511.05
    anisole 485.38
    cyclopentyl methyl ether 472.81
    gamma-butyrolactone 1203.83
    1-methoxy-2-propanol 536.24
    pyridine 1138.94
    3-pentanone 373.54
    furfural 1071.82
    n-dodecane 51.55
    diethylene glycol 422.55
    diisopropyl ether 172.26
    tert-amyl alcohol 669.3
    acetylacetone 504.85
    n-hexadecane 57.64
    acetophenone 481.21
    methyl propionate 407.26
    isopentyl acetate 450.24
    trichloroethylene 2562.41
    n-nonanol 341.98
    cyclohexanol 633.39
    benzyl alcohol 454.25
    2-ethylhexanol 325.41
    isooctanol 262.15
    dipropyl ether 277.87
    1,2-dichlorobenzene 705.47
    ethyl lactate 236.43
    propylene carbonate 729.55
    n-methylformamide 622.07
    2-pentanol 481.58
    n-pentane 106.86
    1-propoxy-2-propanol 450.99
    1-methoxy-2-propyl acetate 363.17
    2-(2-methoxypropoxy) propanol 421.61
    mesitylene 195.47
    ε-caprolactone 846.75
    p-cymene 173.37
    epichlorohydrin 1205.4
    1,1,1-trichloroethane 1164.52
    2-aminoethanol 337.27
    morpholine-4-carbaldehyde 846.76
    sulfolane 1276.59
    2,2,4-trimethylpentane 69.3
    2-methyltetrahydrofuran 775.01
    n-hexyl acetate 654.69
    isooctane 58.66
    2-(2-butoxyethoxy)ethanol 575.99
    sec-butyl acetate 281.22
    tert-butyl acetate 353.39
    decalin 102.12
    glycerin 298.34
    diglyme 909.38
    acrylic acid 640.6
    isopropyl myristate 231.19
    n-butyric acid 841.74
    acetyl acetate 369.71
    di(2-ethylhexyl) phthalate 216.71
    ethyl propionate 358.28
    nitromethane 1147.11
    1,2-diethoxyethane 524.48
    benzonitrile 826.25
    trioctyl phosphate 168.0
    1-bromopropane 837.03
    gamma-valerolactone 1063.0
    n-decanol 243.18
    triethyl phosphate 191.07
    4-methyl-2-pentanol 283.4
    propionitrile 737.83
    vinylene carbonate 737.58
    1,1,2-trichlorotrifluoroethane 829.41
    DMS 359.31
    cumene 206.44
    2-octanol 267.85
    2-hexanone 462.93
    octyl acetate 309.98
    limonene 233.64
    1,2-dimethoxyethane 774.0
    ethyl orthosilicate 181.1
    tributyl phosphate 204.17
    diacetone alcohol 409.12
    N,N-dimethylaniline 337.74
    acrylonitrile 927.08
    aniline 538.15
    1,3-propanediol 476.85
    bromobenzene 932.49
    dibromomethane 1920.14
    1,1,2,2-tetrachloroethane 1936.22
    2-methyl-cyclohexyl acetate 302.52
    tetrabutyl urea 266.63
    diisobutyl methanol 196.11
    2-phenylethanol 401.55
    styrene 403.45
    dioctyl adipate 317.86
    dimethyl sulfate 341.78
    ethyl butyrate 381.78
    methyl lactate 252.56
    butyl lactate 320.22
    diethyl carbonate 293.08
    propanediol butyl ether 490.86
    triethyl orthoformate 248.77
    p-tert-butyltoluene 163.27
    methyl 4-tert-butylbenzoate 408.55
    morpholine 992.17
    tert-butylamine 570.6
    n-dodecanol 184.84
    dimethoxymethane 448.17
    ethylene carbonate 570.53
    cyrene 348.91
    2-ethoxyethyl acetate 428.9
    2-ethylhexyl acetate 342.64
    1,2,4-trichlorobenzene 763.85
    4-methylpyridine 1061.07
    dibutyl ether 400.89
    2,6-dimethyl-4-heptanol 196.11
    DEF 608.14
    dimethyl isosorbide 539.21
    tetrachloroethylene 1204.85
    eugenol 416.05
    triacetin 457.86
    span 80 391.73
    1,4-butanediol 267.3
    1,1-dichloroethane 1461.07
    2-methyl-1-pentanol 503.79
    methyl formate 467.65
    2-methyl-1-butanol 549.21
    n-decane 83.41
    butyronitrile 864.28
    3,7-dimethyl-1-octanol 333.79
    1-chlorooctane 313.36
    1-chlorotetradecane 123.74
    n-nonane 83.69
    undecane 63.05
    tert-butylcyclohexane 96.85
    cyclooctane 58.77
    cyclopentanol 661.74
    tetrahydropyran 867.25
    tert-amyl methyl ether 355.24
    2,5,8-trioxanonane 630.38
    1-hexene 383.55
    2-isopropoxyethanol 380.72
    2,2,2-trifluoroethanol 278.14
    methyl butyrate 526.3

    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