1-Cyclohexene-1-acetic acid

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  • Identifiers

    CAS number
    18294-87-6

    Molecular formula
    C8H12O2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 56.01%
    Honey 55.28%
    Waxy 51.42%
    Fatty 44.56%
    Floral 41.29%
    Animal 37.7%
    Balsamic 37.19%
    Powdery 34.29%
    Fruity 33.59%
    Green 32.85%

     

    Flavor
    Fatty 34.66%
    Sour 28.41%
    Odorless 26.8%
    Sweet 22.01%
    Honeysuckle 21.01%
    Oily 20.92%
    Mild 20.66%
    Animal 20.33%
    Cultured dairy 20.1%
    Stinky 19.93%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.86 (neutral)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    251°C

    Flash point

    • 136.94 ˚C est.

  • Synonyms

    • 1-Cyclohexenylacetic acid
    • 18294-87-6
    • 1-Cyclohexene-1-acetic acid
    • AI3-28150
    • EINECS 242-172-1
    • NSC 14103
    • DTXSID7066356
    • RefChem:75480
    • DTXCID0035821
    • KDFBPHXESBPHTK-UHFFFAOYSA-N
    • 2-(cyclohex-1-en-1-yl)acetic acid
    • 2-(cyclohexen-1-yl)acetic acid
    • Cyclohex-1-enylacetic acid
    • MFCD00015482
    • 1-Cyclohexene-1-aceticacid
    • NSC-14103
    • 2-cyclohex-1-enylacetic acid
    • 1-Cyclohexenylaceticacid
    • cyclohexenylacetic acid
    • Z4TQJ9EW4S
    • cyclohex-1-enyl acetic acid
    • SCHEMBL971269
    • 1-Cyclohexen-1-ylacetic acid #
    • 2-(1-cyclohexenyl)-acetic acid
    • (Cyclohex-1-en-1-yl)acetic acid
    • NSC14103
    • TAA29487
    • SBB008386
    • AKOS006228220
    • CS-W011031
    • SY106338
    • DB-065419
    • NS00026025
    • ST50823688
    • EN300-71277
    • D70526
    • F208879
    • F8889-4959
    • Z1138835936
    • 18294-87-6

  • Applications

    1-Cyclohexene-1-acetic acid (CAS 18294-87-6) is commonly used as a functional monomer and synthetic building block in polymer chemistry, where the vinyl cyclohexene moiety allows copolymerization with acrylics or styrenics to introduce carboxyl functionality for post-polymerization modification; it also serves as an intermediate for adhesion-promoting resins and reactive coatings, enabling crosslinking or grafting onto substrates; the carboxyl group can be derivatized by esterification or amidation to furnish derivatives for specialty plastics, coatings, and inks; salt formation of the acid can improve processing and formulation behavior in industrial manufacturing; and it is sometimes evaluated as a synthetic precursor for downstream pharmaceutical or agrochemical intermediates, subject to relevant regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.83
    methanol 256.11
    isopropanol 181.03
    water 2.83
    ethyl acetate 101.4
    n-propanol 180.49
    acetone 217.84
    n-butanol 164.26
    acetonitrile 91.36
    DMF 707.82
    toluene 24.81
    isobutanol 134.11
    1,4-dioxane 239.92
    methyl acetate 85.91
    THF 350.34
    2-butanone 113.42
    n-pentanol 98.54
    sec-butanol 125.02
    n-hexane 5.69
    ethylene glycol 156.71
    NMP 313.0
    cyclohexane 7.07
    DMSO 657.88
    n-butyl acetate 75.14
    n-octanol 68.06
    chloroform 87.35
    n-propyl acetate 47.56
    acetic acid 167.35
    dichloromethane 90.69
    cyclohexanone 175.84
    propylene glycol 192.27
    isopropyl acetate 66.07
    DMAc 266.32
    2-ethoxyethanol 137.76
    isopentanol 134.01
    n-heptane 7.46
    ethyl formate 75.29
    1,2-dichloroethane 68.54
    n-hexanol 148.36
    2-methoxyethanol 352.52
    isobutyl acetate 33.84
    tetrachloromethane 16.24
    n-pentyl acetate 45.37
    transcutol 382.07
    n-heptanol 71.59
    ethylbenzene 21.56
    MIBK 85.54
    2-propoxyethanol 235.6
    tert-butanol 233.55
    MTBE 68.51
    2-butoxyethanol 121.23
    propionic acid 150.57
    o-xylene 30.06
    formic acid 91.71
    diethyl ether 59.91
    m-xylene 36.42
    p-xylene 24.54
    chlorobenzene 36.92
    dimethyl carbonate 63.05
    n-octane 3.29
    formamide 127.17
    cyclopentanone 263.23
    2-pentanone 124.14
    anisole 63.49
    cyclopentyl methyl ether 114.6
    gamma-butyrolactone 281.08
    1-methoxy-2-propanol 322.76
    pyridine 87.8
    3-pentanone 71.64
    furfural 189.55
    n-dodecane 3.99
    diethylene glycol 240.1
    diisopropyl ether 24.32
    tert-amyl alcohol 135.8
    acetylacetone 152.65
    n-hexadecane 4.38
    acetophenone 58.91
    methyl propionate 113.81
    isopentyl acetate 67.92
    trichloroethylene 130.08
    n-nonanol 60.48
    cyclohexanol 111.13
    benzyl alcohol 68.35
    2-ethylhexanol 70.06
    isooctanol 53.94
    dipropyl ether 57.04
    1,2-dichlorobenzene 44.98
    ethyl lactate 59.06
    propylene carbonate 139.68
    n-methylformamide 231.98
    2-pentanol 99.68
    n-pentane 5.07
    1-propoxy-2-propanol 176.76
    1-methoxy-2-propyl acetate 110.36
    2-(2-methoxypropoxy) propanol 127.66
    mesitylene 26.73
    ε-caprolactone 133.94
    p-cymene 24.47
    epichlorohydrin 228.45
    1,1,1-trichloroethane 55.47
    2-aminoethanol 223.15
    morpholine-4-carbaldehyde 284.28
    sulfolane 410.46
    2,2,4-trimethylpentane 5.26
    2-methyltetrahydrofuran 164.85
    n-hexyl acetate 76.09
    isooctane 6.22
    2-(2-butoxyethoxy)ethanol 173.98
    sec-butyl acetate 34.48
    tert-butyl acetate 84.93
    decalin 6.98
    glycerin 249.44
    diglyme 236.08
    acrylic acid 133.29
    isopropyl myristate 38.06
    n-butyric acid 169.97
    acetyl acetate 63.96
    di(2-ethylhexyl) phthalate 47.22
    ethyl propionate 55.45
    nitromethane 234.34
    1,2-diethoxyethane 77.32
    benzonitrile 65.89
    trioctyl phosphate 40.51
    1-bromopropane 33.39
    gamma-valerolactone 302.02
    n-decanol 48.94
    triethyl phosphate 36.76
    4-methyl-2-pentanol 69.13
    propionitrile 83.79
    vinylene carbonate 110.68
    1,1,2-trichlorotrifluoroethane 183.09
    DMS 67.68
    cumene 21.6
    2-octanol 43.8
    2-hexanone 57.0
    octyl acetate 50.76
    limonene 35.57
    1,2-dimethoxyethane 180.86
    ethyl orthosilicate 34.43
    tributyl phosphate 41.34
    diacetone alcohol 171.1
    N,N-dimethylaniline 53.06
    acrylonitrile 116.02
    aniline 62.07
    1,3-propanediol 237.06
    bromobenzene 29.71
    dibromomethane 51.61
    1,1,2,2-tetrachloroethane 109.38
    2-methyl-cyclohexyl acetate 52.55
    tetrabutyl urea 62.65
    diisobutyl methanol 47.2
    2-phenylethanol 83.9
    styrene 22.06
    dioctyl adipate 57.52
    dimethyl sulfate 114.0
    ethyl butyrate 57.78
    methyl lactate 113.32
    butyl lactate 65.93
    diethyl carbonate 41.91
    propanediol butyl ether 139.35
    triethyl orthoformate 45.11
    p-tert-butyltoluene 25.54
    methyl 4-tert-butylbenzoate 92.43
    morpholine 282.91
    tert-butylamine 104.76
    n-dodecanol 37.23
    dimethoxymethane 239.79
    ethylene carbonate 94.78
    cyrene 116.06
    2-ethoxyethyl acetate 69.01
    2-ethylhexyl acetate 46.77
    1,2,4-trichlorobenzene 55.57
    4-methylpyridine 87.86
    dibutyl ether 37.27
    2,6-dimethyl-4-heptanol 47.2
    DEF 140.33
    dimethyl isosorbide 183.85
    tetrachloroethylene 68.41
    eugenol 98.28
    triacetin 75.44
    span 80 126.78
    1,4-butanediol 94.98
    1,1-dichloroethane 59.84
    2-methyl-1-pentanol 82.95
    methyl formate 155.95
    2-methyl-1-butanol 115.56
    n-decane 5.38
    butyronitrile 92.31
    3,7-dimethyl-1-octanol 62.3
    1-chlorooctane 24.11
    1-chlorotetradecane 12.49
    n-nonane 4.65
    undecane 4.6
    tert-butylcyclohexane 7.66
    cyclooctane 3.37
    cyclopentanol 168.91
    tetrahydropyran 145.34
    tert-amyl methyl ether 57.88
    2,5,8-trioxanonane 196.89
    1-hexene 21.35
    2-isopropoxyethanol 95.02
    2,2,2-trifluoroethanol 68.49
    methyl butyrate 68.3

    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