Cyclohexanecarboxylic acid

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  • Identifiers

    CAS number
    98-89-5

    Molecular formula
    C7H12O2

    SMILES
    C1CCC(CC1)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 70.44%
    Cheesy 57.64%
    Tropical 40.16%
    Animal 35.9%
    Sour 34.13%
    Sweaty 31.27%
    Sharp 25.09%
    Ripe 24.89%
    Berry 24.78%
    Fermented 24.46%

     

    Flavor
    Odorless 31.89%
    Sour 26.87%
    Fatty 23.8%
    Cheese 23.12%
    Animal 22.63%
    Urine 19.92%
    Formyl 19.83%
    Soy 19.77%
    Maple syrup 19.71%
    Stinky 19.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.81 (neutral)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 31 - 32 °C

    Boiling point

    • 232.00 to 233.00 °C. @ 760.00 mm Hg

    Flash point

    • 115.33 ˚C est.

    Solubility expt.

    • 4.6 mg/mL at 25 °C
    • Slightly soluble in water; miscible in fat
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • CYCLOHEXANECARBOXYLIC ACID
    • 98-89-5
    • Hexahydrobenzoic acid
    • Carboxycyclohexane
    • Cyclohexanoic acid
    • Cyclohexylcarboxylic acid
    • Benzoic acid, hexahydro-
    • Cyclohexylmethanoic acid
    • Cyclohexylformic acid
    • Cyclohexancarbonsaeure
    • FEMA No. 3531
    • Cyclohexane-1-carboxylate
    • Cyclohexane-carboxylic acid
    • 26764-36-3
    • MFCD00001461
    • Cyclohexadienecarboxylicacid
    • H9VKD9VL18
    • NSC-452
    • Cyclohexanecarboxylic acid, lead salt
    • 50825-29-1
    • CYCLOHEXANE CARBOXYLIC ACID
    • Cyclohexanecarboxylicacid
    • NSC 452
    • cyclohexyl carboxylic acid
    • EINECS 202-711-3
    • UNII-H9VKD9VL18
    • EPA Pesticide Chemical Code 112603
    • BRN 0970529
    • naphthenoic acid
    • AI3-01854
    • EINECS 256-790-4
    • hexahydro-benzoic acid
    • Cyelohexanecarboxylic acid
    • cyclohexane caboxylic acid
    • Cyclohexanecarboxylic acid, lead salt (1:?)
    • cyclo-hexanecarboxylic acid
    • cycloh exanecarboxylic acid
    • cyclohexancarbonsäure
    • bmse000546
    • bmse000603
    • 4-Cyclohexylcarboxylic acid
    • EC 202-711-3
    • 1-cyclohexanecarboxylic acid
    • 4-cyclohexanecarboxylic acid
    • SCHEMBL6501
    • 1-cyclohexyl-carboxylic acid
    • SAMPL4, O6
    • cyclohexane-1-carboxylic acid
    • cyclohexane-4-carboxylic acid
    • 4-09-00-00016 (Beilstein Handbook Reference)
    • NSC452
    • DTXSID8059180
    • CHEBI:36096
    • Cyclohexanecarboxylic acid, 98%
    • FEMA 3531
    • HY-Y1373R
    • NZNMSOFKMUBTKW-UHFFFAOYSA-
    • 7549-42-0 (calcium salt)
    • BDBM197305
    • CS-D1501
    • HY-Y1373
    • STR02844
    • Cyclohexanecarboxylic acid (Standard)
    • s6279
    • STL168520
    • AKOS000119768
    • CYCLOHEXANECARBOXYLIC ACID [MI]
    • SB40629
    • CYCLOHEXANECARBOXYLIC ACID [FHFI]
    • Cyclohexanecarboxylic acid, >=98%, FG
    • CYCLOHEXANECARBOXYLIC ACID [USP-RS]
    • DB-016117
    • NS00001343
    • Cyclohexanecarboxylic acid, analytical standard
    • EN300-19834
    • C09822
    • P17799
    • Cyclohexanecarboxylic acid, purum, >=97.0% (GC)
    • Q5198713
    • F2191-0111
    • Z104475698
    • 3,4-dichloro-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]benzamide
    • Cyclohexanecarboxylic acid, United States Pharmacopeia (USP) Reference Standard
    • InChI=1/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

  • Applications

    Cyclohexanecarboxylic acid (CAS 98-89-5) is primarily used as an organic synthesis intermediate, enabling the formation of cyclohexyl esters and cyclohexyl amides for applications in pharmaceuticals, fragrance chemistry, and cosmetics. It also serves as a building block for cyclohexyl-containing polymers and specialty resins used in coatings and inks. Additionally, it may function as a precursor in the manufacture of agrochemical and other fragrance-related intermediates. Through transformations such as esterification and acylation, a range of derivatives can be prepared for various industrial formulations, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 311.82
    methanol 442.7
    isopropanol 333.54
    water 4.44
    ethyl acetate 110.44
    n-propanol 257.72
    acetone 214.62
    n-butanol 189.89
    acetonitrile 137.53
    DMF 440.08
    toluene 35.44
    isobutanol 215.51
    1,4-dioxane 387.32
    methyl acetate 160.71
    THF 516.41
    2-butanone 164.71
    n-pentanol 166.12
    sec-butanol 230.8
    n-hexane 21.56
    ethylene glycol 128.7
    NMP 470.13
    cyclohexane 16.74
    DMSO 588.19
    n-butyl acetate 133.29
    n-octanol 128.65
    chloroform 388.49
    n-propyl acetate 103.05
    acetic acid 269.31
    dichloromethane 236.49
    cyclohexanone 268.83
    propylene glycol 177.95
    isopropyl acetate 89.43
    DMAc 282.14
    2-ethoxyethanol 209.1
    isopentanol 172.68
    n-heptane 13.34
    ethyl formate 110.45
    1,2-dichloroethane 180.68
    n-hexanol 225.38
    2-methoxyethanol 328.45
    isobutyl acetate 81.01
    tetrachloromethane 48.73
    n-pentyl acetate 113.17
    transcutol 552.6
    n-heptanol 143.86
    ethylbenzene 40.6
    MIBK 111.36
    2-propoxyethanol 305.98
    tert-butanol 334.11
    MTBE 145.88
    2-butoxyethanol 225.43
    propionic acid 285.47
    o-xylene 44.27
    formic acid 145.77
    diethyl ether 94.11
    m-xylene 46.07
    p-xylene 55.81
    chlorobenzene 108.81
    dimethyl carbonate 50.43
    n-octane 9.63
    formamide 163.7
    cyclopentanone 421.7
    2-pentanone 129.71
    anisole 93.69
    cyclopentyl methyl ether 163.14
    gamma-butyrolactone 540.71
    1-methoxy-2-propanol 295.96
    pyridine 221.86
    3-pentanone 87.27
    furfural 377.36
    n-dodecane 9.61
    diethylene glycol 246.9
    diisopropyl ether 44.54
    tert-amyl alcohol 223.57
    acetylacetone 163.58
    n-hexadecane 10.71
    acetophenone 102.73
    methyl propionate 113.51
    isopentyl acetate 127.36
    trichloroethylene 373.08
    n-nonanol 112.27
    cyclohexanol 153.13
    benzyl alcohol 106.28
    2-ethylhexanol 112.65
    isooctanol 113.53
    dipropyl ether 81.13
    1,2-dichlorobenzene 116.04
    ethyl lactate 87.91
    propylene carbonate 239.77
    n-methylformamide 259.82
    2-pentanol 148.74
    n-pentane 12.87
    1-propoxy-2-propanol 221.1
    1-methoxy-2-propyl acetate 138.06
    2-(2-methoxypropoxy) propanol 162.54
    mesitylene 41.15
    ε-caprolactone 241.66
    p-cymene 38.57
    epichlorohydrin 383.56
    1,1,1-trichloroethane 158.48
    2-aminoethanol 242.49
    morpholine-4-carbaldehyde 357.82
    sulfolane 723.0
    2,2,4-trimethylpentane 11.69
    2-methyltetrahydrofuran 289.22
    n-hexyl acetate 165.85
    isooctane 12.67
    2-(2-butoxyethoxy)ethanol 250.14
    sec-butyl acetate 72.72
    tert-butyl acetate 119.29
    decalin 15.67
    glycerin 227.95
    diglyme 355.12
    acrylic acid 246.8
    isopropyl myristate 67.48
    n-butyric acid 249.79
    acetyl acetate 72.98
    di(2-ethylhexyl) phthalate 75.98
    ethyl propionate 79.91
    nitromethane 316.13
    1,2-diethoxyethane 137.65
    benzonitrile 136.82
    trioctyl phosphate 67.26
    1-bromopropane 90.03
    gamma-valerolactone 445.38
    n-decanol 85.64
    triethyl phosphate 48.74
    4-methyl-2-pentanol 102.09
    propionitrile 144.09
    vinylene carbonate 200.78
    1,1,2-trichlorotrifluoroethane 285.25
    DMS 106.97
    cumene 39.98
    2-octanol 100.29
    2-hexanone 114.63
    octyl acetate 92.65
    limonene 50.9
    1,2-dimethoxyethane 255.82
    ethyl orthosilicate 49.19
    tributyl phosphate 64.18
    diacetone alcohol 197.74
    N,N-dimethylaniline 76.11
    acrylonitrile 204.72
    aniline 97.39
    1,3-propanediol 250.2
    bromobenzene 89.61
    dibromomethane 170.9
    1,1,2,2-tetrachloroethane 355.95
    2-methyl-cyclohexyl acetate 92.87
    tetrabutyl urea 86.0
    diisobutyl methanol 70.48
    2-phenylethanol 131.64
    styrene 45.43
    dioctyl adipate 89.38
    dimethyl sulfate 121.37
    ethyl butyrate 84.64
    methyl lactate 122.77
    butyl lactate 119.84
    diethyl carbonate 56.78
    propanediol butyl ether 228.69
    triethyl orthoformate 65.15
    p-tert-butyltoluene 39.6
    methyl 4-tert-butylbenzoate 144.45
    morpholine 381.38
    tert-butylamine 186.34
    n-dodecanol 64.92
    dimethoxymethane 172.81
    ethylene carbonate 156.09
    cyrene 153.74
    2-ethoxyethyl acetate 127.52
    2-ethylhexyl acetate 91.54
    1,2,4-trichlorobenzene 138.64
    4-methylpyridine 167.2
    dibutyl ether 76.0
    2,6-dimethyl-4-heptanol 70.48
    DEF 148.52
    dimethyl isosorbide 230.62
    tetrachloroethylene 221.79
    eugenol 153.57
    triacetin 125.37
    span 80 172.78
    1,4-butanediol 136.82
    1,1-dichloroethane 189.34
    2-methyl-1-pentanol 131.14
    methyl formate 173.96
    2-methyl-1-butanol 148.41
    n-decane 14.91
    butyronitrile 124.17
    3,7-dimethyl-1-octanol 108.78
    1-chlorooctane 62.31
    1-chlorotetradecane 26.67
    n-nonane 13.74
    undecane 11.65
    tert-butylcyclohexane 18.14
    cyclooctane 6.94
    cyclopentanol 282.93
    tetrahydropyran 248.03
    tert-amyl methyl ether 97.0
    2,5,8-trioxanonane 254.24
    1-hexene 65.94
    2-isopropoxyethanol 158.6
    2,2,2-trifluoroethanol 114.14
    methyl butyrate 119.95

    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