4-Methyl-3-cyclohexene-1-carboxylic Acid

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  • Identifiers

    CAS number
    4342-60-3

    Molecular formula
    C8H12O2

    SMILES
    CC1=CCC(CC1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 39.08%
    Herbal 35.95%
    Spicy 35.88%
    Animal 33.8%
    Mint 28.39%
    Tobacco 25.44%
    Floral 25.42%
    Cheesy 24.81%
    Sweet 23.22%
    Phenolic 22.7%

     

    Flavor
    Fatty 25.48%
    Odorless 24.16%
    Sour 22.55%
    Minty 20.95%
    Caramel 20.28%
    Maple syrup 20.27%
    Phenolic 19.55%
    Roquefort cheese 19.28%
    Urine 19.18%
    Leaves 19.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.32 (weak base)

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    245°C

    Flash point

    • 130.22 ˚C est.

  • Synonyms

    • 4-methylcyclohex-3-ene-1-carboxylic acid
    • 4342-60-3
    • 4-methylcyclohex-3-enecarboxylic acid
    • 4-METHYL-3-CYCLOHEXENE-1-CARBOXYLIC ACID
    • MFCD02238356
    • NSC 99286
    • 3-Cyclohexene-1-carboxylic acid, 4-methyl-
    • NCIOpen2_002007
    • SCHEMBL1037667
    • NSC99286
    • 4-methylcyclohex-3-enecarboxylicacid
    • NSC-99286
    • 4-methyl-3-cyclohexenecarboxylic acid
    • AKOS006380499
    • FM30105
    • SB47505
    • SS-4738
    • 1-Methylcyclohex-1-en-4-carboxylic acid
    • SY053455
    • DB-219004
    • 4-Methyl-3-cyclohexene-1-carboxylic acid #
    • CS-0152877
    • M2492
    • EN300-102169
    • Z1205493665
    • 806-956-2

  • Applications

    4-Methyl-3-cyclohexene-1-carboxylic Acid (CAS 4342-60-3) is commonly used as an organic synthesis intermediate across several industrial sectors. It serves as a building block for fragrance and flavor chemistries and as a precursor to esters, amides, and lactones used in cosmetics and personal care formulations. The molecule's unsaturated cyclohexene ring and carboxylic acid functionality also enable it to participate in polymer and resin syntheses as a monomer or comonomer for specialty plastics and coatings. In pharmaceutical and agrochemical development, it is evaluated as a synthetic intermediate for more complex active ingredients. Additionally, it can be used in broader industrial manufacturing routes to access a range of specialty chemicals for performance formulations, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 153.79
    methanol 127.92
    isopropanol 135.32
    water 2.08
    ethyl acetate 158.74
    n-propanol 118.26
    acetone 173.65
    n-butanol 131.23
    acetonitrile 114.24
    DMF 344.12
    toluene 12.0
    isobutanol 91.3
    1,4-dioxane 445.98
    methyl acetate 133.82
    THF 441.9
    2-butanone 121.23
    n-pentanol 77.75
    sec-butanol 93.42
    n-hexane 2.4
    ethylene glycol 43.36
    NMP 312.88
    cyclohexane 3.43
    DMSO 286.63
    n-butyl acetate 110.44
    n-octanol 61.57
    chloroform 96.91
    n-propyl acetate 72.84
    acetic acid 200.4
    dichloromethane 139.81
    cyclohexanone 185.48
    propylene glycol 68.9
    isopropyl acetate 101.14
    DMAc 235.29
    2-ethoxyethanol 149.8
    isopentanol 129.18
    n-heptane 3.88
    ethyl formate 98.73
    1,2-dichloroethane 86.6
    n-hexanol 103.1
    2-methoxyethanol 281.8
    isobutyl acetate 50.47
    tetrachloromethane 14.88
    n-pentyl acetate 67.59
    transcutol 682.06
    n-heptanol 63.24
    ethylbenzene 12.42
    MIBK 87.99
    2-propoxyethanol 206.17
    tert-butanol 186.31
    MTBE 86.7
    2-butoxyethanol 126.28
    propionic acid 135.36
    o-xylene 17.54
    formic acid 93.19
    diethyl ether 78.3
    m-xylene 19.74
    p-xylene 19.23
    chlorobenzene 35.14
    dimethyl carbonate 57.05
    n-octane 2.17
    formamide 168.63
    cyclopentanone 281.26
    2-pentanone 119.58
    anisole 59.98
    cyclopentyl methyl ether 110.53
    gamma-butyrolactone 370.37
    1-methoxy-2-propanol 244.95
    pyridine 99.31
    3-pentanone 67.07
    furfural 241.95
    n-dodecane 3.08
    diethylene glycol 178.95
    diisopropyl ether 29.41
    tert-amyl alcohol 119.83
    acetylacetone 171.65
    n-hexadecane 3.45
    acetophenone 66.09
    methyl propionate 111.99
    isopentyl acetate 102.62
    trichloroethylene 171.91
    n-nonanol 56.6
    cyclohexanol 80.73
    benzyl alcohol 56.43
    2-ethylhexanol 61.5
    isooctanol 53.71
    dipropyl ether 46.35
    1,2-dichlorobenzene 45.53
    ethyl lactate 50.75
    propylene carbonate 199.37
    n-methylformamide 162.51
    2-pentanol 79.89
    n-pentane 2.48
    1-propoxy-2-propanol 145.82
    1-methoxy-2-propyl acetate 148.4
    2-(2-methoxypropoxy) propanol 146.25
    mesitylene 17.16
    ε-caprolactone 192.34
    p-cymene 20.73
    epichlorohydrin 335.77
    1,1,1-trichloroethane 62.61
    2-aminoethanol 99.31
    morpholine-4-carbaldehyde 351.0
    sulfolane 339.99
    2,2,4-trimethylpentane 4.22
    2-methyltetrahydrofuran 236.78
    n-hexyl acetate 101.3
    isooctane 4.22
    2-(2-butoxyethoxy)ethanol 234.29
    sec-butyl acetate 56.67
    tert-butyl acetate 122.78
    decalin 4.6
    glycerin 106.03
    diglyme 341.76
    acrylic acid 108.4
    isopropyl myristate 45.85
    n-butyric acid 184.73
    acetyl acetate 104.0
    di(2-ethylhexyl) phthalate 55.29
    ethyl propionate 71.4
    nitromethane 333.25
    1,2-diethoxyethane 151.26
    benzonitrile 64.42
    trioctyl phosphate 46.44
    1-bromopropane 30.54
    gamma-valerolactone 391.4
    n-decanol 45.44
    triethyl phosphate 43.35
    4-methyl-2-pentanol 64.2
    propionitrile 70.86
    vinylene carbonate 153.23
    1,1,2-trichlorotrifluoroethane 168.86
    DMS 83.15
    cumene 15.72
    2-octanol 40.86
    2-hexanone 68.72
    octyl acetate 61.96
    limonene 30.52
    1,2-dimethoxyethane 216.82
    ethyl orthosilicate 41.1
    tributyl phosphate 52.24
    diacetone alcohol 173.5
    N,N-dimethylaniline 46.88
    acrylonitrile 91.41
    aniline 45.24
    1,3-propanediol 172.91
    bromobenzene 26.41
    dibromomethane 57.54
    1,1,2,2-tetrachloroethane 126.63
    2-methyl-cyclohexyl acetate 77.0
    tetrabutyl urea 63.04
    diisobutyl methanol 41.67
    2-phenylethanol 77.38
    styrene 12.77
    dioctyl adipate 72.69
    dimethyl sulfate 101.91
    ethyl butyrate 75.4
    methyl lactate 76.92
    butyl lactate 70.07
    diethyl carbonate 53.55
    propanediol butyl ether 138.69
    triethyl orthoformate 57.55
    p-tert-butyltoluene 21.25
    methyl 4-tert-butylbenzoate 102.73
    morpholine 430.44
    tert-butylamine 84.04
    n-dodecanol 35.14
    dimethoxymethane 179.89
    ethylene carbonate 134.95
    cyrene 131.9
    2-ethoxyethyl acetate 120.09
    2-ethylhexyl acetate 75.22
    1,2,4-trichlorobenzene 62.16
    4-methylpyridine 85.96
    dibutyl ether 45.76
    2,6-dimethyl-4-heptanol 41.67
    DEF 143.97
    dimethyl isosorbide 233.17
    tetrachloroethylene 73.18
    eugenol 95.13
    triacetin 114.1
    span 80 132.35
    1,4-butanediol 60.79
    1,1-dichloroethane 66.82
    2-methyl-1-pentanol 78.29
    methyl formate 120.7
    2-methyl-1-butanol 93.75
    n-decane 4.13
    butyronitrile 90.53
    3,7-dimethyl-1-octanol 62.56
    1-chlorooctane 21.85
    1-chlorotetradecane 10.76
    n-nonane 3.24
    undecane 3.57
    tert-butylcyclohexane 5.21
    cyclooctane 1.68
    cyclopentanol 125.06
    tetrahydropyran 187.84
    tert-amyl methyl ether 61.54
    2,5,8-trioxanonane 253.15
    1-hexene 11.65
    2-isopropoxyethanol 103.83
    2,2,2-trifluoroethanol 81.99
    methyl butyrate 89.59

    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