p-Menthane-3-carboxylic acid

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  • Identifiers

    CAS number
    39668-86-5

    Molecular formula
    C11H20O2

    SMILES
    CC1CCC(C(C1)C(=O)O)C(C)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 55.04%
    Mint 52.29%
    Cooling 40.67%
    Spicy 37.6%
    Woody 32.58%
    Odorless 30.39%
    Animal 29.91%
    Fresh 27.66%
    Balsamic 26.72%
    Sour 25.43%

     

    Flavor
    Minty 27.69%
    Herbal 25.09%
    Odorless 23.52%
    Fatty 21.74%
    Green 21.17%
    Herb 20.75%
    Cedarleaf 20.7%
    Mentholic 20.64%
    Fruity 20.59%
    Green tea 20.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.94 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point

    • 132.17 ˚C est.

  • Synonyms

    • 39668-86-5
    • p-Menthane-3-carboxylic acid
    • EINECS 254-582-8
    • Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-
    • AI3-32584
    • NSC 55371
    • RefChem:169350
    • 254-582-8
    • 2-isopropyl-5-methyl-cyclohexanecarboxylic acid
    • 5-methyl-2-(propan-2-yl)cyclohexane-1-carboxylic acid
    • 2-isopropyl-5-methylcyclohexanecarboxylic acid
    • 5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
    • (1S,2R,5S)-2-Isopropyl-5-methylcyclohexanecarboxylic acid
    • 62309-29-9
    • NSC55371
    • menthane carboxylic acid
    • Menthane-3-carboxylic acid
    • SCHEMBL464850
    • 5-Methyl-2-(1-methylethyl)cyclohexanecarboxylic acid
    • SCHEMBL4815133
    • SCHEMBL15226024
    • DTXSID30864657
    • NSC-55371
    • AKOS010488646
    • SB34015
    • SB47697
    • DB-282052
    • 2-isopropyl-5-methylcyclohexanecarboxylicacid
    • CS-0243749
    • NS00055158
    • 2-isopropyl-5-methylcyclohexane carboxylic acid
    • EN300-267892
    • 668I865
    • 39668-86-5

  • Applications

    p-Menthane-3-carboxylic acid (CAS 39668-86-5) is primarily used as a chiral intermediate in the synthesis of menthane-based compounds for the fragrance and cosmetics industries; it acts as a building block for menthol/menthone derivatives and other menthane aroma compounds, supporting fragrance formulations and cosmetic fragrance ingredients. It is also employed as a precursor in pharmaceutical synthesis and related chemical routes to menthane-derived intermediates. In research and development, it serves as a source for constructing chiral terpenoid scaffolds and derivatives used in specialty chemicals, including fragrance-related compounds and analytical standards.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 212.28
    methanol 207.43
    isopropanol 311.56
    water 0.58
    ethyl acetate 52.3
    n-propanol 211.27
    acetone 106.46
    n-butanol 179.35
    acetonitrile 72.77
    DMF 182.38
    toluene 58.2
    isobutanol 174.08
    1,4-dioxane 242.68
    methyl acetate 63.89
    THF 399.92
    2-butanone 110.44
    n-pentanol 130.33
    sec-butanol 199.89
    n-hexane 13.39
    ethylene glycol 40.68
    NMP 139.82
    cyclohexane 20.12
    DMSO 169.86
    n-butyl acetate 98.99
    n-octanol 78.98
    chloroform 251.43
    n-propyl acetate 43.48
    acetic acid 64.03
    dichloromethane 179.73
    cyclohexanone 181.03
    propylene glycol 77.06
    isopropyl acetate 49.8
    DMAc 126.46
    2-ethoxyethanol 98.34
    isopentanol 148.99
    n-heptane 11.72
    ethyl formate 56.6
    1,2-dichloroethane 118.4
    n-hexanol 215.07
    2-methoxyethanol 166.34
    isobutyl acetate 42.36
    tetrachloromethane 42.03
    n-pentyl acetate 60.34
    transcutol 150.03
    n-heptanol 95.07
    ethylbenzene 43.38
    MIBK 70.09
    2-propoxyethanol 203.0
    tert-butanol 279.95
    MTBE 119.85
    2-butoxyethanol 121.22
    propionic acid 75.86
    o-xylene 49.18
    formic acid 25.49
    diethyl ether 81.77
    m-xylene 54.63
    p-xylene 55.02
    chlorobenzene 76.28
    dimethyl carbonate 18.13
    n-octane 7.78
    formamide 29.67
    cyclopentanone 215.21
    2-pentanone 85.04
    anisole 66.92
    cyclopentyl methyl ether 103.78
    gamma-butyrolactone 184.86
    1-methoxy-2-propanol 156.07
    pyridine 145.18
    3-pentanone 52.84
    furfural 140.84
    n-dodecane 7.1
    diethylene glycol 128.99
    diisopropyl ether 30.72
    tert-amyl alcohol 180.92
    acetylacetone 70.4
    n-hexadecane 8.12
    acetophenone 61.1
    methyl propionate 47.39
    isopentyl acetate 103.7
    trichloroethylene 185.4
    n-nonanol 69.76
    cyclohexanol 140.88
    benzyl alcohol 72.83
    2-ethylhexanol 99.21
    isooctanol 74.11
    dipropyl ether 59.48
    1,2-dichlorobenzene 69.65
    ethyl lactate 37.85
    propylene carbonate 94.98
    n-methylformamide 80.78
    2-pentanol 126.32
    n-pentane 13.18
    1-propoxy-2-propanol 155.69
    1-methoxy-2-propyl acetate 89.68
    2-(2-methoxypropoxy) propanol 82.13
    mesitylene 40.58
    ε-caprolactone 130.07
    p-cymene 42.41
    epichlorohydrin 202.21
    1,1,1-trichloroethane 106.6
    2-aminoethanol 99.44
    morpholine-4-carbaldehyde 142.67
    sulfolane 206.79
    2,2,4-trimethylpentane 10.34
    2-methyltetrahydrofuran 202.45
    n-hexyl acetate 82.75
    isooctane 10.42
    2-(2-butoxyethoxy)ethanol 109.44
    sec-butyl acetate 38.5
    tert-butyl acetate 62.17
    decalin 13.68
    glycerin 75.73
    diglyme 149.79
    acrylic acid 57.33
    isopropyl myristate 38.48
    n-butyric acid 111.08
    acetyl acetate 31.72
    di(2-ethylhexyl) phthalate 47.03
    ethyl propionate 37.08
    nitromethane 69.75
    1,2-diethoxyethane 68.33
    benzonitrile 84.1
    trioctyl phosphate 39.34
    1-bromopropane 92.69
    gamma-valerolactone 222.58
    n-decanol 54.45
    triethyl phosphate 33.28
    4-methyl-2-pentanol 80.11
    propionitrile 89.05
    vinylene carbonate 78.83
    1,1,2-trichlorotrifluoroethane 111.61
    DMS 45.35
    cumene 38.74
    2-octanol 66.13
    2-hexanone 66.29
    octyl acetate 50.46
    limonene 53.01
    1,2-dimethoxyethane 142.02
    ethyl orthosilicate 33.53
    tributyl phosphate 34.94
    diacetone alcohol 98.51
    N,N-dimethylaniline 54.05
    acrylonitrile 94.67
    aniline 75.29
    1,3-propanediol 128.19
    bromobenzene 74.24
    dibromomethane 143.67
    1,1,2,2-tetrachloroethane 179.27
    2-methyl-cyclohexyl acetate 63.37
    tetrabutyl urea 48.51
    diisobutyl methanol 58.99
    2-phenylethanol 108.4
    styrene 42.24
    dioctyl adipate 46.96
    dimethyl sulfate 33.12
    ethyl butyrate 52.87
    methyl lactate 43.56
    butyl lactate 64.35
    diethyl carbonate 34.25
    propanediol butyl ether 101.68
    triethyl orthoformate 43.18
    p-tert-butyltoluene 44.01
    methyl 4-tert-butylbenzoate 78.42
    morpholine 265.12
    tert-butylamine 169.73
    n-dodecanol 41.14
    dimethoxymethane 85.37
    ethylene carbonate 69.89
    cyrene 80.67
    2-ethoxyethyl acetate 63.33
    2-ethylhexyl acetate 77.24
    1,2,4-trichlorobenzene 80.07
    4-methylpyridine 120.45
    dibutyl ether 44.98
    2,6-dimethyl-4-heptanol 58.99
    DEF 67.95
    dimethyl isosorbide 131.84
    tetrachloroethylene 109.99
    eugenol 80.36
    triacetin 53.66
    span 80 90.15
    1,4-butanediol 68.35
    1,1-dichloroethane 139.71
    2-methyl-1-pentanol 105.93
    methyl formate 55.13
    2-methyl-1-butanol 125.34
    n-decane 11.14
    butyronitrile 105.47
    3,7-dimethyl-1-octanol 71.72
    1-chlorooctane 41.45
    1-chlorotetradecane 18.46
    n-nonane 10.22
    undecane 8.79
    tert-butylcyclohexane 14.59
    cyclooctane 7.96
    cyclopentanol 183.28
    tetrahydropyran 215.3
    tert-amyl methyl ether 76.91
    2,5,8-trioxanonane 113.16
    1-hexene 49.56
    2-isopropoxyethanol 84.95
    2,2,2-trifluoroethanol 25.38
    methyl butyrate 53.15

    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