Cyclohexaneacetic acid

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  • Identifiers

    CAS number
    5292-21-7

    Molecular formula
    C8H14O2

    SMILES
    C1CCC(CC1)CC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 58.96%
    Fatty 58.77%
    Cheesy 54.22%
    Animal 43.24%
    Sour 42.2%
    Honey 40.49%
    Dairy 35.87%
    Fruity 34.24%
    Musk 34.16%
    Sweaty 33.3%

     

    Flavor
    Fatty 35.82%
    Odorless 32.51%
    Sour 30.32%
    Cheese 25.86%
    Sweet 23.98%
    Fruity 23.76%
    Animal 23.32%
    Mild 21.93%
    Cultured dairy 21.07%
    Waxy 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.4 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 33 °C

    Boiling point

    • 242.00 to 243.00 °C. @ 760.00 mm Hg

    Flash point

    • 125.71 ˚C est.

    Solubility expt.

    • 2.88 mg/mL at 25 °C
    • Slightly soluble in water
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • CYCLOHEXYLACETIC ACID
    • Cyclohexaneacetic acid
    • 5292-21-7
    • 2-cyclohexylacetic acid
    • Cyclohexylethanoic acid
    • cyclohexyl acetic acid
    • Hexahydrophenylacetic acid
    • FEMA No. 2347
    • NSC 2159
    • EINECS 226-132-0
    • V43K3TO0HN
    • BRN 2041326
    • AI3-14243
    • cyclohexane acetic acid
    • Cyclohexane-acetic acid
    • NSC-2159
    • MFCD00001518
    • DTXSID7063762
    • CHEBI:37277
    • CYCLOHEXANE ACETIC ACID [FHFI]
    • UNII-V43K3TO0HN
    • cyclohexyacetic acid
    • cyclo-hexylacetic acid
    • Cyclohexyl-acetic acid
    • 2-cyclohexyl-acetic acid
    • WLN: L6TJ A1VQ
    • Cyclohexaneacetic acid, 4-
    • NCIOpen2_009320
    • SCHEMBL175425
    • Cyclohexaneacetic acid, >=98%
    • Cyclohexaneacetic acid, >=99%
    • DTXCID8041327
    • FEMA 2347
    • LJOODBDWMQKMFB-UHFFFAOYSA-
    • NSC2159
    • BCP30886
    • s6022
    • STL168028
    • XH0937
    • AKOS000120683
    • CS-W019439
    • FC66376
    • GS-3062
    • HY-W018653
    • SY001139
    • DB-052208
    • DB-197972
    • NS00022300
    • EN300-21004
    • F11130
    • Q27117096
    • F2191-0072
    • Z104486044
    • InChI=1/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
    • 226-132-0

  • Applications

    Cyclohexaneacetic acid (CAS 5292-21-7) is a versatile building block in organic synthesis, commonly used as an intermediate to access cyclohexyl-containing amides and esters for pharmaceutical and agrochemical development; it also serves as a precursor for fragrance chemistry to prepare cyclohexyl-related fragrance ingredients, and as a functional intermediate in polymer and resin syntheses for specialty plastics and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 281.87
    methanol 301.47
    isopropanol 273.93
    water 1.91
    ethyl acetate 134.51
    n-propanol 240.07
    acetone 281.78
    n-butanol 233.24
    acetonitrile 125.44
    DMF 520.12
    toluene 35.85
    isobutanol 175.7
    1,4-dioxane 298.3
    methyl acetate 114.49
    THF 573.45
    2-butanone 151.71
    n-pentanol 115.41
    sec-butanol 166.37
    n-hexane 11.68
    ethylene glycol 130.86
    NMP 423.42
    cyclohexane 18.12
    DMSO 694.33
    n-butyl acetate 137.95
    n-octanol 81.9
    chloroform 268.09
    n-propyl acetate 71.19
    acetic acid 258.38
    dichloromethane 256.78
    cyclohexanone 328.81
    propylene glycol 189.05
    isopropyl acetate 93.43
    DMAc 221.79
    2-ethoxyethanol 137.4
    isopentanol 183.87
    n-heptane 13.7
    ethyl formate 120.64
    1,2-dichloroethane 177.68
    n-hexanol 203.05
    2-methoxyethanol 359.79
    isobutyl acetate 50.34
    tetrachloromethane 37.22
    n-pentyl acetate 77.48
    transcutol 424.5
    n-heptanol 93.1
    ethylbenzene 29.43
    MIBK 101.26
    2-propoxyethanol 288.49
    tert-butanol 296.33
    MTBE 89.97
    2-butoxyethanol 150.78
    propionic acid 231.53
    o-xylene 38.41
    formic acid 105.88
    diethyl ether 79.87
    m-xylene 43.55
    p-xylene 36.84
    chlorobenzene 86.63
    dimethyl carbonate 59.48
    n-octane 5.84
    formamide 141.56
    cyclopentanone 480.64
    2-pentanone 152.96
    anisole 74.04
    cyclopentyl methyl ether 164.56
    gamma-butyrolactone 525.88
    1-methoxy-2-propanol 338.16
    pyridine 180.68
    3-pentanone 87.23
    furfural 333.93
    n-dodecane 5.51
    diethylene glycol 238.9
    diisopropyl ether 33.21
    tert-amyl alcohol 161.03
    acetylacetone 203.61
    n-hexadecane 6.13
    acetophenone 79.59
    methyl propionate 121.73
    isopentyl acetate 121.67
    trichloroethylene 338.98
    n-nonanol 71.48
    cyclohexanol 178.31
    benzyl alcohol 86.26
    2-ethylhexanol 98.81
    isooctanol 70.02
    dipropyl ether 85.06
    1,2-dichlorobenzene 93.78
    ethyl lactate 68.62
    propylene carbonate 262.23
    n-methylformamide 259.34
    2-pentanol 135.0
    n-pentane 9.79
    1-propoxy-2-propanol 223.26
    1-methoxy-2-propyl acetate 148.99
    2-(2-methoxypropoxy) propanol 139.51
    mesitylene 34.6
    ε-caprolactone 250.19
    p-cymene 35.1
    epichlorohydrin 407.76
    1,1,1-trichloroethane 124.49
    2-aminoethanol 224.42
    morpholine-4-carbaldehyde 337.63
    sulfolane 719.16
    2,2,4-trimethylpentane 7.56
    2-methyltetrahydrofuran 271.67
    n-hexyl acetate 114.57
    isooctane 8.26
    2-(2-butoxyethoxy)ethanol 202.88
    sec-butyl acetate 49.06
    tert-butyl acetate 113.93
    decalin 11.26
    glycerin 235.34
    diglyme 284.75
    acrylic acid 202.64
    isopropyl myristate 51.02
    n-butyric acid 293.47
    acetyl acetate 95.1
    di(2-ethylhexyl) phthalate 63.96
    ethyl propionate 72.38
    nitromethane 328.17
    1,2-diethoxyethane 101.55
    benzonitrile 111.53
    trioctyl phosphate 53.81
    1-bromopropane 80.02
    gamma-valerolactone 499.31
    n-decanol 56.09
    triethyl phosphate 50.47
    4-methyl-2-pentanol 85.95
    propionitrile 123.66
    vinylene carbonate 200.36
    1,1,2-trichlorotrifluoroethane 271.86
    DMS 89.37
    cumene 28.57
    2-octanol 56.85
    2-hexanone 77.33
    octyl acetate 66.39
    limonene 51.0
    1,2-dimethoxyethane 198.22
    ethyl orthosilicate 47.4
    tributyl phosphate 55.71
    diacetone alcohol 206.9
    N,N-dimethylaniline 57.3
    acrylonitrile 163.9
    aniline 88.42
    1,3-propanediol 281.16
    bromobenzene 74.19
    dibromomethane 158.57
    1,1,2,2-tetrachloroethane 281.91
    2-methyl-cyclohexyl acetate 81.82
    tetrabutyl urea 79.01
    diisobutyl methanol 64.17
    2-phenylethanol 112.47
    styrene 33.04
    dioctyl adipate 78.49
    dimethyl sulfate 117.88
    ethyl butyrate 97.47
    methyl lactate 124.64
    butyl lactate 96.19
    diethyl carbonate 64.97
    propanediol butyl ether 166.17
    triethyl orthoformate 68.84
    p-tert-butyltoluene 36.65
    methyl 4-tert-butylbenzoate 123.69
    morpholine 364.76
    tert-butylamine 144.45
    n-dodecanol 43.15
    dimethoxymethane 203.24
    ethylene carbonate 172.45
    cyrene 135.97
    2-ethoxyethyl acetate 100.68
    2-ethylhexyl acetate 85.52
    1,2,4-trichlorobenzene 112.2
    4-methylpyridine 138.18
    dibutyl ether 53.21
    2,6-dimethyl-4-heptanol 64.17
    DEF 156.28
    dimethyl isosorbide 234.85
    tetrachloroethylene 176.75
    eugenol 121.84
    triacetin 105.13
    span 80 158.65
    1,4-butanediol 102.43
    1,1-dichloroethane 152.95
    2-methyl-1-pentanol 90.61
    methyl formate 167.89
    2-methyl-1-butanol 142.09
    n-decane 7.9
    butyronitrile 143.77
    3,7-dimethyl-1-octanol 78.59
    1-chlorooctane 36.38
    1-chlorotetradecane 16.8
    n-nonane 7.32
    undecane 6.44
    tert-butylcyclohexane 10.93
    cyclooctane 6.75
    cyclopentanol 283.55
    tetrahydropyran 251.87
    tert-amyl methyl ether 69.77
    2,5,8-trioxanonane 215.74
    1-hexene 37.02
    2-isopropoxyethanol 101.92
    2,2,2-trifluoroethanol 98.8
    methyl butyrate 96.04

    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