3-Methylcyclohexanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    591-23-1

    Molecular formula
    C7H14O

    SMILES
    CC1CCCC(C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 62.17%
    Mint 57.3%
    Solvent 50.59%
    Fermented 49.92%
    Ethereal 44.33%
    Musty 43.55%
    Camphoreous 42.65%
    Herbal 35.82%
    Cooling 33.26%
    Alcoholic 33.09%

     

    Flavor
    Minty 41.58%
    Camphor 35.91%
    Medicinal 29.26%
    Sweet 27.54%
    Phenol 23.35%
    Camphoraceous 22.22%
    Herbal 22.07%
    Mentholic 21.61%
    Musty 21.32%
    Beet 21.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.06 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -5.5 °C (cis-isomer)

    Boiling point

    • 162.00 to 164.00 °C. @ 760.00 mm Hg
    • 174 °C

    Flash point

    • 61.7 ˚C est.
    • 62 °C c.c.

  • Synonyms

    • 3-METHYLCYCLOHEXANOL
    • 591-23-1
    • 3-methylcyclohexan-1-ol
    • m-Methylcyclohexanol
    • Cyclohexanol, 3-methyl-
    • Hexahydro-m-cresol
    • Cyclohexanol, m-methyl-
    • 3-methyl-cyclohexanol
    • cis-3-Methylcyclohexanol
    • (1R,3R)-3-methylcyclohexan-1-ol
    • EINECS 209-709-1
    • NSC 123022
    • BRN 2036372
    • m-Methyl-Cyclohexanol
    • AI3-01176
    • 3-Methylcyclohexanol,c&t
    • MFCD00001446
    • 3-Methyl-cis-Cyclohexanol
    • 3-Methyl-trans-Cyclohexanol
    • 3-Methylcyclohexanol,cAMP t
    • DTXSID80870642
    • 3-06-00-00069 (Beilstein Handbook Reference)
    • trans-3-Methylcyclohexanol
    • cis-3-Methylcyclohexan-1-ol
    • 24965-90-0
    • 24965-94-4
    • 5454-79-5
    • 3-Methylhexalin
    • mMethylcyclohexanol
    • 7443-55-2
    • mHexahydromethylphenol
    • Cyclohexanol, mmethyl
    • 3Hexahydromethylphenol
    • 3-methyl cyclohexanol
    • Cyclohexanol, 3methyl
    • m-Hexahydromethylphenol
    • 3-Hexahydromethylphenol
    • 3-methyl-cyclohexan-1-ol
    • UNII-LLD7V459JM
    • LLD7V459JM
    • SCHEMBL181397
    • BDBM36192
    • DTXCID60818345
    • CHEBI:195740
    • 3Methylcyclohexanol, mixed isomers
    • AAA59123
    • NSC123022
    • STL301579
    • AKOS000120099
    • AKOS016352945
    • AB86143
    • AB86174
    • AB86398
    • NSC-123022
    • SB83895
    • Cyclohexanol, 3-methyl-, (1R,3S)-rel-
    • M0195
    • NS00043582
    • 3Methylcyclohexanol, mixture of cis and trans
    • EN300-20722
    • 3-Methylcyclohexanol (cis- and trans- mixture)
    • Q2595963
    • F8889-6462

  • Applications

    3-Methylcyclohexanol (CAS 591-23-1) is primarily used as an intermediate in organic synthesis; in fragrance and flavor applications, it serves as a building block for ester-based aroma compounds; in cosmetics and personal care, it may function as a fragrance ingredient or reactive intermediate in formulations; in coatings and inks, it can be used as a processing solvent or an intermediate for resin modification; in polymer and plastics chemistry, it is used as a precursor for specialty monomers or as a solvent/processing aid during resin synthesis; it may also find use as a general industrial solvent or cleaning aid under controlled conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3156.8
    methanol 3111.28
    isopropanol 2245.3
    water 2.93
    ethyl acetate 1004.65
    n-propanol 2056.06
    acetone 1451.64
    n-butanol 1934.96
    acetonitrile 1056.69
    DMF 505.94
    toluene 170.41
    isobutanol 1253.78
    1,4-dioxane 1733.58
    methyl acetate 738.09
    THF 2684.35
    2-butanone 903.89
    n-pentanol 993.78
    sec-butanol 1257.3
    n-hexane 227.63
    ethylene glycol 271.49
    NMP 438.39
    cyclohexane 219.08
    DMSO 987.36
    n-butyl acetate 1322.11
    n-octanol 406.33
    chloroform 1396.69
    n-propyl acetate 553.88
    acetic acid 1414.53
    dichloromethane 853.82
    cyclohexanone 1006.72
    propylene glycol 411.67
    isopropyl acetate 555.14
    DMAc 237.39
    2-ethoxyethanol 781.62
    isopentanol 1308.56
    n-heptane 247.69
    ethyl formate 607.39
    1,2-dichloroethane 561.3
    n-hexanol 1697.48
    2-methoxyethanol 1507.77
    isobutyl acetate 345.43
    tetrachloromethane 276.42
    n-pentyl acetate 423.94
    transcutol 2402.77
    n-heptanol 505.48
    ethylbenzene 76.48
    MIBK 466.81
    2-propoxyethanol 1609.27
    tert-butanol 1796.02
    MTBE 1032.79
    2-butoxyethanol 694.49
    propionic acid 1028.58
    o-xylene 104.4
    formic acid 424.69
    diethyl ether 1369.28
    m-xylene 146.2
    p-xylene 104.26
    chlorobenzene 277.96
    dimethyl carbonate 100.79
    n-octane 59.0
    formamide 397.43
    cyclopentanone 1055.32
    2-pentanone 871.44
    anisole 204.82
    cyclopentyl methyl ether 857.37
    gamma-butyrolactone 1146.31
    1-methoxy-2-propanol 1019.82
    pyridine 697.6
    3-pentanone 417.08
    furfural 666.81
    n-dodecane 38.8
    diethylene glycol 832.54
    diisopropyl ether 361.68
    tert-amyl alcohol 925.07
    acetylacetone 564.96
    n-hexadecane 42.01
    acetophenone 153.27
    methyl propionate 478.41
    isopentyl acetate 858.3
    trichloroethylene 872.39
    n-nonanol 341.91
    cyclohexanol 869.84
    benzyl alcohol 198.22
    2-ethylhexanol 742.99
    isooctanol 359.42
    dipropyl ether 936.93
    1,2-dichlorobenzene 206.85
    ethyl lactate 163.71
    propylene carbonate 576.68
    n-methylformamide 643.73
    2-pentanol 1066.78
    n-pentane 235.29
    1-propoxy-2-propanol 1250.19
    1-methoxy-2-propyl acetate 642.85
    2-(2-methoxypropoxy) propanol 375.48
    mesitylene 99.28
    ε-caprolactone 836.01
    p-cymene 117.6
    epichlorohydrin 1087.97
    1,1,1-trichloroethane 603.36
    2-aminoethanol 769.13
    morpholine-4-carbaldehyde 589.71
    sulfolane 787.66
    2,2,4-trimethylpentane 74.71
    2-methyltetrahydrofuran 1614.88
    n-hexyl acetate 525.04
    isooctane 92.62
    2-(2-butoxyethoxy)ethanol 705.63
    sec-butyl acetate 312.37
    tert-butyl acetate 552.56
    decalin 64.57
    glycerin 439.84
    diglyme 1027.0
    acrylic acid 585.53
    isopropyl myristate 179.23
    n-butyric acid 1692.1
    acetyl acetate 388.21
    di(2-ethylhexyl) phthalate 136.66
    ethyl propionate 338.28
    nitromethane 1270.24
    1,2-diethoxyethane 1014.13
    benzonitrile 339.33
    trioctyl phosphate 125.11
    1-bromopropane 552.93
    gamma-valerolactone 1176.85
    n-decanol 251.8
    triethyl phosphate 130.98
    4-methyl-2-pentanol 492.77
    propionitrile 872.78
    vinylene carbonate 430.15
    1,1,2-trichlorotrifluoroethane 556.41
    DMS 194.14
    cumene 66.06
    2-octanol 291.54
    2-hexanone 600.64
    octyl acetate 232.33
    limonene 237.03
    1,2-dimethoxyethane 994.55
    ethyl orthosilicate 154.02
    tributyl phosphate 155.48
    diacetone alcohol 539.13
    N,N-dimethylaniline 104.76
    acrylonitrile 697.24
    aniline 350.69
    1,3-propanediol 1178.58
    bromobenzene 235.36
    dibromomethane 680.79
    1,1,2,2-tetrachloroethane 721.05
    2-methyl-cyclohexyl acetate 295.27
    tetrabutyl urea 163.14
    diisobutyl methanol 353.4
    2-phenylethanol 393.11
    styrene 98.95
    dioctyl adipate 198.82
    dimethyl sulfate 108.68
    ethyl butyrate 593.26
    methyl lactate 199.26
    butyl lactate 302.98
    diethyl carbonate 253.68
    propanediol butyl ether 492.27
    triethyl orthoformate 347.11
    p-tert-butyltoluene 117.25
    methyl 4-tert-butylbenzoate 188.01
    morpholine 1858.65
    tert-butylamine 1267.06
    n-dodecanol 185.8
    dimethoxymethane 556.63
    ethylene carbonate 429.79
    cyrene 193.9
    2-ethoxyethyl acetate 449.5
    2-ethylhexyl acetate 597.99
    1,2,4-trichlorobenzene 232.29
    4-methylpyridine 525.76
    dibutyl ether 526.8
    2,6-dimethyl-4-heptanol 353.4
    DEF 503.8
    dimethyl isosorbide 481.83
    tetrachloroethylene 539.59
    eugenol 207.42
    triacetin 281.64
    span 80 422.22
    1,4-butanediol 343.45
    1,1-dichloroethane 768.5
    2-methyl-1-pentanol 618.57
    methyl formate 375.33
    2-methyl-1-butanol 1003.49
    n-decane 72.82
    butyronitrile 1205.39
    3,7-dimethyl-1-octanol 405.35
    1-chlorooctane 219.97
    1-chlorotetradecane 76.83
    n-nonane 74.55
    undecane 50.99
    tert-butylcyclohexane 74.26
    cyclooctane 69.69
    cyclopentanol 1021.02
    tetrahydropyran 1848.13
    tert-amyl methyl ether 508.33
    2,5,8-trioxanonane 587.38
    1-hexene 579.49
    2-isopropoxyethanol 517.27
    2,2,2-trifluoroethanol 287.92
    methyl butyrate 472.56

    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

Botanical

Name CAS Botanical Proportion
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.01%