3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester

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  • Identifiers

    CAS number
    63302-64-7

    Molecular formula
    C15H26O2

    SMILES
    CCCCC(CC)COC(=O)C1CCC=CC1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.57%
    Herbal 57.37%
    Floral 45.08%
    Green 41.55%
    Jasmin 37.32%
    Oily 37.21%
    Sweet 34.19%
    Balsamic 32.46%
    Peach 31.55%
    Woody 30.25%

     

    Flavor
    Fruity 52.42%
    Green 49.33%
    Waxy 43.47%
    Oily 39.32%
    Herbal 36.98%
    Fatty 31.03%
    Tropical 29.45%
    Fresh 29.4%
    Floral 26.77%
    Jasmin 24.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.36 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 130.67 ˚C est.

  • Synonyms

    • 63302-64-7
    • 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester
    • EINECS 264-084-2
    • DTXSID30866999
    • RefChem:93584
    • DTXCID60815218
    • 2-Ethylhexyl cyclohex-3-ene-1-carboxylate
    • SCHEMBL12431718
    • OOBVOBFENTULJB-UHFFFAOYSA-N
    • DB-093776
    • NS00055919
    • 63302-64-7

  • Applications

    3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester (CAS 63302-64-7) is primarily used as an intermediate in organic synthesis, enabling access to further cyclohexene carboxylate derivatives; it is also evaluated as a specialty plasticizer and processing aid for polymers and coatings to improve flexibility and handling; the cyclohexene carboxylate functionality provides potential for copolymerization or post-polymer modification in UV-curable or other resin systems; in fragrance and cosmetic applications, the ester can serve as a fragrance intermediate or fixative precursor; and in formulations for coatings, inks, and household products it may act as a solvent component or compatibility aid, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3257.12
    methanol 2502.04
    isopropanol 2786.3
    water 0.12
    ethyl acetate 4669.22
    n-propanol 2710.79
    acetone 4410.56
    n-butanol 2832.11
    acetonitrile 3220.56
    DMF 2400.46
    toluene 2151.69
    isobutanol 2264.05
    1,4-dioxane 3853.33
    methyl acetate 2782.95
    THF 4058.38
    2-butanone 3788.82
    n-pentanol 1664.44
    sec-butanol 2616.5
    n-hexane 571.7
    ethylene glycol 89.96
    NMP 1811.38
    cyclohexane 1276.57
    DMSO 2139.95
    n-butyl acetate 3525.38
    n-octanol 790.06
    chloroform 7243.46
    n-propyl acetate 2661.45
    acetic acid 1610.8
    dichloromethane 7407.9
    cyclohexanone 4930.11
    propylene glycol 257.12
    isopropyl acetate 2969.38
    DMAc 2044.65
    2-ethoxyethanol 1442.11
    isopentanol 2502.25
    n-heptane 221.49
    ethyl formate 1742.77
    1,2-dichloroethane 5340.51
    n-hexanol 1828.38
    2-methoxyethanol 2045.56
    isobutyl acetate 1533.2
    tetrachloromethane 1030.0
    n-pentyl acetate 1960.89
    transcutol 6251.17
    n-heptanol 762.02
    ethylbenzene 1043.49
    MIBK 2028.27
    2-propoxyethanol 1896.03
    tert-butanol 2820.82
    MTBE 4207.26
    2-butoxyethanol 1182.45
    propionic acid 1290.4
    o-xylene 1069.59
    formic acid 238.06
    diethyl ether 5212.12
    m-xylene 1205.7
    p-xylene 1271.11
    chlorobenzene 2803.79
    dimethyl carbonate 561.77
    n-octane 107.72
    formamide 492.09
    cyclopentanone 3525.73
    2-pentanone 3871.02
    anisole 1575.61
    cyclopentyl methyl ether 2617.58
    gamma-butyrolactone 3131.17
    1-methoxy-2-propanol 1793.32
    pyridine 4211.05
    3-pentanone 2320.14
    furfural 2334.27
    n-dodecane 78.79
    diethylene glycol 768.51
    diisopropyl ether 1335.8
    tert-amyl alcohol 2468.26
    acetylacetone 2727.07
    n-hexadecane 95.62
    acetophenone 1402.64
    methyl propionate 2139.95
    isopentyl acetate 2963.3
    trichloroethylene 8086.38
    n-nonanol 662.21
    cyclohexanol 2584.03
    benzyl alcohol 1072.51
    2-ethylhexanol 1179.07
    isooctanol 705.78
    dipropyl ether 1465.81
    1,2-dichlorobenzene 2095.39
    ethyl lactate 580.93
    propylene carbonate 1984.82
    n-methylformamide 1154.24
    2-pentanol 2377.26
    n-pentane 529.27
    1-propoxy-2-propanol 1653.56
    1-methoxy-2-propyl acetate 1910.31
    2-(2-methoxypropoxy) propanol 1017.06
    mesitylene 735.8
    ε-caprolactone 3895.55
    p-cymene 523.85
    epichlorohydrin 4650.46
    1,1,1-trichloroethane 4709.56
    2-aminoethanol 409.02
    morpholine-4-carbaldehyde 1974.31
    sulfolane 2403.7
    2,2,4-trimethylpentane 226.59
    2-methyltetrahydrofuran 4371.65
    n-hexyl acetate 2138.47
    isooctane 204.51
    2-(2-butoxyethoxy)ethanol 1534.56
    sec-butyl acetate 1899.35
    tert-butyl acetate 2318.81
    decalin 375.37
    glycerin 283.33
    diglyme 2868.25
    acrylic acid 826.38
    isopropyl myristate 680.73
    n-butyric acid 3324.45
    acetyl acetate 2032.39
    di(2-ethylhexyl) phthalate 490.36
    ethyl propionate 2020.05
    nitromethane 2621.11
    1,2-diethoxyethane 3159.24
    benzonitrile 2064.89
    trioctyl phosphate 366.51
    1-bromopropane 4061.05
    gamma-valerolactone 3807.8
    n-decanol 449.64
    triethyl phosphate 535.43
    4-methyl-2-pentanol 1110.21
    propionitrile 2627.96
    vinylene carbonate 1719.71
    1,1,2-trichlorotrifluoroethane 1764.68
    DMS 1176.62
    cumene 632.22
    2-octanol 637.82
    2-hexanone 2238.34
    octyl acetate 819.13
    limonene 887.98
    1,2-dimethoxyethane 2890.13
    ethyl orthosilicate 564.25
    tributyl phosphate 507.04
    diacetone alcohol 1551.5
    N,N-dimethylaniline 878.62
    acrylonitrile 2136.75
    aniline 1804.41
    1,3-propanediol 1064.92
    bromobenzene 3245.81
    dibromomethane 5377.51
    1,1,2,2-tetrachloroethane 5938.51
    2-methyl-cyclohexyl acetate 1118.16
    tetrabutyl urea 594.71
    diisobutyl methanol 649.0
    2-phenylethanol 1149.56
    styrene 1421.09
    dioctyl adipate 817.3
    dimethyl sulfate 630.38
    ethyl butyrate 1904.98
    methyl lactate 552.43
    butyl lactate 940.53
    diethyl carbonate 1071.21
    propanediol butyl ether 899.18
    triethyl orthoformate 1011.04
    p-tert-butyltoluene 477.98
    methyl 4-tert-butylbenzoate 961.97
    morpholine 4708.55
    tert-butylamine 2006.87
    n-dodecanol 330.83
    dimethoxymethane 1891.19
    ethylene carbonate 1671.9
    cyrene 680.46
    2-ethoxyethyl acetate 2065.22
    2-ethylhexyl acetate 2060.58
    1,2,4-trichlorobenzene 2154.55
    4-methylpyridine 4413.46
    dibutyl ether 1694.25
    2,6-dimethyl-4-heptanol 649.0
    DEF 2909.09
    dimethyl isosorbide 1439.58
    tetrachloroethylene 3434.13
    eugenol 887.91
    triacetin 1261.41
    span 80 971.26
    1,4-butanediol 357.28
    1,1-dichloroethane 6145.79
    2-methyl-1-pentanol 1572.38
    methyl formate 777.93
    2-methyl-1-butanol 2378.3
    n-decane 151.38
    butyronitrile 3676.35
    3,7-dimethyl-1-octanol 883.84
    1-chlorooctane 751.56
    1-chlorotetradecane 246.71
    n-nonane 150.17
    undecane 102.61
    tert-butylcyclohexane 302.15
    cyclooctane 293.97
    cyclopentanol 1704.51
    tetrahydropyran 6426.74
    tert-amyl methyl ether 2330.53
    2,5,8-trioxanonane 1604.02
    1-hexene 1845.98
    2-isopropoxyethanol 1206.99
    2,2,2-trifluoroethanol 352.02
    methyl butyrate 2931.9

    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