Methylcyclohexanol

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  • Identifiers

    CAS number
    25639-42-3

    Molecular formula
    C7H10O

    SMILES
    CCC(C)C#CC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 86.67%
    Leafy 44.3%
    Aldehydic 43.68%
    Fatty 39.61%
    Fresh 38.97%
    Floral 37.62%
    Herbal 33.71%
    Spicy 32.8%
    Vegetable 32.47%
    Grassy 31.52%

     

    Flavor
    Bitter 42.31%
    Nitrile 20.08%
    Herbal 19.99%
    Cedarleaf 19.19%
    Oriental 18.9%
    Butyric 18.5%
    Lovage 18.43%
    Green pepper 18.35%
    Bloody 18.35%
    Creosote 18.32%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 504.0 [ppm]. Odor threshold from CHEMINFO
    • Methylcyclohexanol vapor in air can be detected and recognized by its odor when present to extent of 500 ppm, a concentration capable of causing upper respiratory irritation.

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.33 (neutral)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -58 °F (NIOSH, 2024)
    • FP: -50 °C
    • -58 °F

    Boiling point

    • 311 to 356 °F at 760 mmHg (NIOSH, 2024)
    • 155-180 °C
    • Boiling point: 165-171 °C /Commercial mixture/
    • 174 °C
    • 311-356 °F

    Flash point

    • 50.86 ˚C est.
    • 149 to 158 °F (NIOSH, 2024)
    • 149-158 °F (Closed cup)
    • 154 °F (CLOSED CUP)
    • 41 °C c.c.
    • 149-158 °F

    Solubility expt.

    • 4 % (NIOSH, 2024)
    • 3-4% in water at 20 °C
    • Miscible with plasticizers; miscible with common solvents and gum solutions
    • Solubility in water, g/100ml at 20 °C: 3-4
    • 4%

  • Synonyms

    • Methylhexalin
    • Metylocykloheksanol (Polish)
    • Metylocykloheksanol [Polish]
    • Hexahydrocresol
    • Sextol
    • Methyl adronol
    • Methyl anol
    • Metylocykloheksanol
    • Hexahydromethylphenol
    • Cyclohexanol, methyl
    • Cyclohexanol, methyl-
    • METHYLCYCLOHEXANOLS
    • RefChem:818550
    • 1-hydroxy-1-methylcyclohexane
    • HSDB 2910
    • Methylcyclohexanol (ACGIH:OSHA)
    • DTXSID401043671
    • EINECS 247-152-6
    • UN2617
    • BRN 1445998
    • 3-06-00-00073 (Beilstein Handbook Reference)
    • 1-METHYLCYCLOHEXYL ALCOHOL
    • 25639-42-3
    • METHYL CYCLOHEXANOL
    • Methylcyclohexanol
    • SCHEMBL3026952
    • SCHEMBL3026955
    • 25639-42-3

  • Applications

    Methylcyclohexanol (CAS 25639-42-3) is primarily used as a building block and intermediate in the synthesis of fragrance and aroma compounds, and can function as a solvent or processing aid in industrial manufacturing. It serves as a precursor for downstream derivatives such as cyclohexanone-type compounds and other fragrance-related materials. In coatings and inks, it may be employed as a processing solvent or formulation component to adjust properties. In cosmetics/personal care, it is sometimes evaluated or used as a fragrance raw material or solvent within regulated limits. In polymer and plastics contexts, it is encountered as a chemical intermediate for specialty materials and processing aids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1427.48
    methanol 1267.5
    isopropanol 861.38
    water 1.49
    ethyl acetate 2137.68
    n-propanol 930.62
    acetone 2686.54
    n-butanol 854.32
    acetonitrile 1665.31
    DMF 2849.92
    toluene 353.83
    isobutanol 602.3
    1,4-dioxane 1440.31
    methyl acetate 1784.05
    THF 2538.92
    2-butanone 1888.87
    n-pentanol 425.73
    sec-butanol 653.32
    n-hexane 64.97
    ethylene glycol 366.71
    NMP 2028.99
    cyclohexane 109.61
    DMSO 2934.47
    n-butyl acetate 1130.51
    n-octanol 205.37
    chloroform 2315.11
    n-propyl acetate 731.41
    acetic acid 1322.17
    dichloromethane 3110.11
    cyclohexanone 1981.01
    propylene glycol 381.27
    isopropyl acetate 835.84
    DMAc 1079.71
    2-ethoxyethanol 647.52
    isopentanol 572.24
    n-heptane 58.45
    ethyl formate 1127.26
    1,2-dichloroethane 2298.01
    n-hexanol 688.6
    2-methoxyethanol 1555.12
    isobutyl acetate 360.07
    tetrachloromethane 401.8
    n-pentyl acetate 424.51
    transcutol 2130.8
    n-heptanol 208.41
    ethylbenzene 173.13
    MIBK 620.57
    2-propoxyethanol 1066.05
    tert-butanol 824.58
    MTBE 674.12
    2-butoxyethanol 450.38
    propionic acid 1254.84
    o-xylene 186.9
    formic acid 466.33
    diethyl ether 913.77
    m-xylene 254.89
    p-xylene 198.23
    chlorobenzene 735.27
    dimethyl carbonate 529.21
    n-octane 23.7
    formamide 894.63
    cyclopentanone 2930.99
    2-pentanone 1549.43
    anisole 462.76
    cyclopentyl methyl ether 971.32
    gamma-butyrolactone 3292.6
    1-methoxy-2-propanol 1156.11
    pyridine 1390.51
    3-pentanone 972.56
    furfural 1828.37
    n-dodecane 19.52
    diethylene glycol 814.83
    diisopropyl ether 205.48
    tert-amyl alcohol 577.33
    acetylacetone 1715.06
    n-hexadecane 22.83
    acetophenone 428.94
    methyl propionate 1487.16
    isopentyl acetate 741.93
    trichloroethylene 3792.92
    n-nonanol 169.93
    cyclohexanol 594.89
    benzyl alcohol 342.4
    2-ethylhexanol 314.42
    isooctanol 158.77
    dipropyl ether 412.56
    1,2-dichlorobenzene 652.11
    ethyl lactate 301.65
    propylene carbonate 1445.13
    n-methylformamide 1728.33
    2-pentanol 510.44
    n-pentane 69.48
    1-propoxy-2-propanol 773.92
    1-methoxy-2-propyl acetate 930.33
    2-(2-methoxypropoxy) propanol 381.52
    mesitylene 150.78
    ε-caprolactone 1466.78
    p-cymene 137.7
    epichlorohydrin 2961.03
    1,1,1-trichloroethane 1701.21
    2-aminoethanol 554.52
    morpholine-4-carbaldehyde 1534.87
    sulfolane 2983.82
    2,2,4-trimethylpentane 29.86
    2-methyltetrahydrofuran 1770.86
    n-hexyl acetate 573.6
    isooctane 31.89
    2-(2-butoxyethoxy)ethanol 585.76
    sec-butyl acetate 401.69
    tert-butyl acetate 757.78
    decalin 49.08
    glycerin 449.12
    diglyme 1147.23
    acrylic acid 1029.91
    isopropyl myristate 179.39
    n-butyric acid 1611.5
    acetyl acetate 923.92
    di(2-ethylhexyl) phthalate 156.98
    ethyl propionate 683.76
    nitromethane 3051.01
    1,2-diethoxyethane 693.03
    benzonitrile 630.32
    trioctyl phosphate 133.44
    1-bromopropane 995.59
    gamma-valerolactone 2590.38
    n-decanol 126.85
    triethyl phosphate 186.68
    4-methyl-2-pentanol 248.01
    propionitrile 1200.08
    vinylene carbonate 1221.38
    1,1,2-trichlorotrifluoroethane 1372.61
    DMS 553.86
    cumene 109.08
    2-octanol 148.67
    2-hexanone 660.5
    octyl acetate 244.24
    limonene 219.83
    1,2-dimethoxyethane 1075.71
    ethyl orthosilicate 177.58
    tributyl phosphate 174.84
    diacetone alcohol 901.58
    N,N-dimethylaniline 226.03
    acrylonitrile 1594.2
    aniline 459.32
    1,3-propanediol 855.34
    bromobenzene 767.63
    dibromomethane 1731.43
    1,1,2,2-tetrachloroethane 2304.25
    2-methyl-cyclohexyl acetate 316.85
    tetrabutyl urea 221.41
    diisobutyl methanol 186.07
    2-phenylethanol 406.09
    styrene 241.27
    dioctyl adipate 269.56
    dimethyl sulfate 777.0
    ethyl butyrate 631.51
    methyl lactate 552.79
    butyl lactate 328.66
    diethyl carbonate 378.36
    propanediol butyl ether 434.16
    triethyl orthoformate 304.81
    p-tert-butyltoluene 135.63
    methyl 4-tert-butylbenzoate 354.99
    morpholine 1783.05
    tert-butylamine 427.78
    n-dodecanol 97.89
    dimethoxymethane 1283.07
    ethylene carbonate 982.77
    cyrene 334.6
    2-ethoxyethyl acetate 677.87
    2-ethylhexyl acetate 511.97
    1,2,4-trichlorobenzene 688.65
    4-methylpyridine 1092.95
    dibutyl ether 260.82
    2,6-dimethyl-4-heptanol 186.07
    DEF 1257.21
    dimethyl isosorbide 706.24
    tetrachloroethylene 1449.77
    eugenol 374.15
    triacetin 486.25
    span 80 358.08
    1,4-butanediol 273.9
    1,1-dichloroethane 2125.63
    2-methyl-1-pentanol 327.96
    methyl formate 1319.61
    2-methyl-1-butanol 522.9
    n-decane 30.43
    butyronitrile 1103.69
    3,7-dimethyl-1-octanol 217.51
    1-chlorooctane 157.78
    1-chlorotetradecane 61.68
    n-nonane 30.84
    undecane 24.06
    tert-butylcyclohexane 45.87
    cyclooctane 35.89
    cyclopentanol 878.4
    tetrahydropyran 1503.48
    tert-amyl methyl ether 419.84
    2,5,8-trioxanonane 666.24
    1-hexene 254.06
    2-isopropoxyethanol 415.39
    2,2,2-trifluoroethanol 433.69
    methyl butyrate 922.61

    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