1-Methylcyclohexanecarboxylic acid

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  • Identifiers

    CAS number
    1123-25-7

    Molecular formula
    C8H14O2

    SMILES
    CC1(CCCCC1)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Cheesy 42.57%
    Fruity 37.17%
    Animal 37.15%
    Sour 32.95%
    Mint 28.75%
    Herbal 26.36%
    Tropical 25.78%
    Sweaty 25.7%
    Musk 24.8%
    Musty 24.63%

     

    Flavor
    Fruity 46.16%
    Cheese 29.59%
    Fruit 26.04%
    Berry 23.12%
    Caramel 23.11%
    Musty 22.96%
    Minty 22.33%
    Sweet 21.93%
    Animal 21.18%
    Sour 20.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.95 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    237°C

    Flash point

    • 114.92 ˚C est.

  • Synonyms

    • 1-Methylcyclohexanecarboxylic acid
    • 1123-25-7
    • 1-Methylcyclohexane-1-carboxylic acid
    • 1-Methyl-1-cyclohexanecarboxylic acid
    • 1-Methylcyclohexylcarboxylic acid
    • 1-Methylcyclohexanoic acid
    • 1-Methyl-1-cyclohexanoic acid
    • Cyclohexanecarboxylic acid, 1-methyl-
    • EINECS 214-371-3
    • BRN 1859220
    • 1-methyl-cyclohexanecarboxylic acid
    • MFCD00001463
    • DTXSID10149979
    • EC 214-371-3
    • 4-09-00-00041 (Beilstein Handbook Reference)
    • Cyclohexanecarboxylic acid, methyl-
    • methyl-CCA
    • 1-Methyl-1-cyclohexanecarboxylic Acid; 1-Methylcyclohexanecarboxylic Acid; 1-Methylcyclohexylcarboxylic Acid
    • SCHEMBL18449
    • methyl cyclohexanecarboxylic acid
    • 1-Methylcyclohexanecarboxylicacid
    • DTXCID1072470
    • 1-Methyl cyclohexanecarboxylic acid
    • 1-methylcyclohexane carboxylic acid
    • STR06123
    • 1-methyl-1-hydroxycarbonylcyclohexane
    • 1-methyl-1-cyclohexyl-carboxylic acid
    • AKOS003628757
    • 1-methyl-cyclohexane-1-carboxylic acid
    • PS-3178
    • SB15440
    • FM170813
    • SY004269
    • 1-Methyl-1-cyclohexanecarboxylic acid, 99%
    • CS-0153762
    • M0732
    • NS00004216
    • EN300-90450
    • Z995180964

  • Applications

    1-Methylcyclohexanecarboxylic acid (CAS 1123-25-7) is primarily used as an intermediate in the synthesis of fragrance ingredients for perfumery and cosmetic formulations, and as a scaffolding unit for derivatives employed in personal care products and aroma compounds. It also serves as a building block for ester and amide derivatives used in coatings/inks and adhesives, and can function as a foundational component in polymer and plastics synthesis. In pharmaceutical contexts, its derivatives may be evaluated as intermediates for various syntheses, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 393.49
    methanol 516.99
    isopropanol 429.62
    water 4.46
    ethyl acetate 217.16
    n-propanol 319.37
    acetone 251.8
    n-butanol 235.48
    acetonitrile 233.39
    DMF 352.77
    toluene 67.63
    isobutanol 249.73
    1,4-dioxane 650.45
    methyl acetate 283.49
    THF 709.93
    2-butanone 247.11
    n-pentanol 187.23
    sec-butanol 285.78
    n-hexane 26.91
    ethylene glycol 104.88
    NMP 348.06
    cyclohexane 21.93
    DMSO 411.65
    n-butyl acetate 210.78
    n-octanol 170.62
    chloroform 463.88
    n-propyl acetate 155.99
    acetic acid 230.2
    dichloromethane 296.94
    cyclohexanone 293.47
    propylene glycol 141.68
    isopropyl acetate 177.18
    DMAc 241.09
    2-ethoxyethanol 285.9
    isopentanol 217.08
    n-heptane 18.55
    ethyl formate 155.35
    1,2-dichloroethane 220.53
    n-hexanol 293.11
    2-methoxyethanol 391.84
    isobutyl acetate 123.23
    tetrachloromethane 91.4
    n-pentyl acetate 156.47
    transcutol 692.25
    n-heptanol 190.7
    ethylbenzene 62.83
    MIBK 172.26
    2-propoxyethanol 455.42
    tert-butanol 470.12
    MTBE 302.24
    2-butoxyethanol 292.73
    propionic acid 272.5
    o-xylene 69.98
    formic acid 141.95
    diethyl ether 219.82
    m-xylene 79.04
    p-xylene 86.71
    chlorobenzene 136.78
    dimethyl carbonate 76.37
    n-octane 13.76
    formamide 190.31
    cyclopentanone 433.71
    2-pentanone 194.64
    anisole 148.95
    cyclopentyl methyl ether 233.57
    gamma-butyrolactone 525.5
    1-methoxy-2-propanol 370.02
    pyridine 226.18
    3-pentanone 133.12
    furfural 342.77
    n-dodecane 12.97
    diethylene glycol 306.01
    diisopropyl ether 96.36
    tert-amyl alcohol 317.74
    acetylacetone 227.14
    n-hexadecane 14.56
    acetophenone 134.43
    methyl propionate 169.16
    isopentyl acetate 201.95
    trichloroethylene 415.75
    n-nonanol 146.87
    cyclohexanol 170.53
    benzyl alcohol 121.79
    2-ethylhexanol 150.41
    isooctanol 157.81
    dipropyl ether 135.67
    1,2-dichlorobenzene 144.3
    ethyl lactate 98.36
    propylene carbonate 263.68
    n-methylformamide 269.03
    2-pentanol 190.89
    n-pentane 20.01
    1-propoxy-2-propanol 313.52
    1-methoxy-2-propyl acetate 223.79
    2-(2-methoxypropoxy) propanol 206.52
    mesitylene 68.21
    ε-caprolactone 272.3
    p-cymene 58.51
    epichlorohydrin 452.55
    1,1,1-trichloroethane 240.38
    2-aminoethanol 224.51
    morpholine-4-carbaldehyde 396.13
    sulfolane 549.05
    2,2,4-trimethylpentane 19.85
    2-methyltetrahydrofuran 387.95
    n-hexyl acetate 220.5
    isooctane 23.62
    2-(2-butoxyethoxy)ethanol 324.07
    sec-butyl acetate 126.96
    tert-butyl acetate 234.7
    decalin 21.11
    glycerin 174.1
    diglyme 461.03
    acrylic acid 202.31
    isopropyl myristate 91.45
    n-butyric acid 279.84
    acetyl acetate 116.5
    di(2-ethylhexyl) phthalate 87.38
    ethyl propionate 132.8
    nitromethane 340.75
    1,2-diethoxyethane 248.8
    benzonitrile 157.86
    trioctyl phosphate 78.27
    1-bromopropane 130.52
    gamma-valerolactone 503.17
    n-decanol 111.74
    triethyl phosphate 65.73
    4-methyl-2-pentanol 148.69
    propionitrile 223.92
    vinylene carbonate 219.77
    1,1,2-trichlorotrifluoroethane 282.68
    DMS 142.27
    cumene 61.66
    2-octanol 133.87
    2-hexanone 158.82
    octyl acetate 120.28
    limonene 75.79
    1,2-dimethoxyethane 382.77
    ethyl orthosilicate 67.71
    tributyl phosphate 79.04
    diacetone alcohol 284.24
    N,N-dimethylaniline 110.85
    acrylonitrile 261.25
    aniline 123.99
    1,3-propanediol 262.83
    bromobenzene 120.64
    dibromomethane 218.71
    1,1,2,2-tetrachloroethane 387.23
    2-methyl-cyclohexyl acetate 126.78
    tetrabutyl urea 97.12
    diisobutyl methanol 106.33
    2-phenylethanol 181.68
    styrene 64.42
    dioctyl adipate 108.73
    dimethyl sulfate 141.95
    ethyl butyrate 135.14
    methyl lactate 126.53
    butyl lactate 141.54
    diethyl carbonate 84.72
    propanediol butyl ether 244.18
    triethyl orthoformate 98.38
    p-tert-butyltoluene 64.14
    methyl 4-tert-butylbenzoate 187.19
    morpholine 573.77
    tert-butylamine 283.83
    n-dodecanol 84.45
    dimethoxymethane 261.22
    ethylene carbonate 180.54
    cyrene 168.99
    2-ethoxyethyl acetate 182.7
    2-ethylhexyl acetate 142.98
    1,2,4-trichlorobenzene 166.72
    4-methylpyridine 193.12
    dibutyl ether 114.52
    2,6-dimethyl-4-heptanol 106.33
    DEF 187.6
    dimethyl isosorbide 308.86
    tetrachloroethylene 263.05
    eugenol 181.85
    triacetin 156.76
    span 80 199.07
    1,4-butanediol 131.4
    1,1-dichloroethane 274.58
    2-methyl-1-pentanol 163.83
    methyl formate 191.29
    2-methyl-1-butanol 182.69
    n-decane 20.83
    butyronitrile 209.33
    3,7-dimethyl-1-octanol 149.75
    1-chlorooctane 86.28
    1-chlorotetradecane 35.41
    n-nonane 18.78
    undecane 16.11
    tert-butylcyclohexane 27.43
    cyclooctane 10.55
    cyclopentanol 248.83
    tetrahydropyran 367.42
    tert-amyl methyl ether 175.28
    2,5,8-trioxanonane 321.5
    1-hexene 91.34
    2-isopropoxyethanol 228.71
    2,2,2-trifluoroethanol 124.07
    methyl butyrate 164.59

    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