4-Methylcyclohexanol

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  • Identifiers

    CAS number
    589-91-3

    Molecular formula
    C7H14O

    SMILES
    CC1CCC(CC1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 58.78%
    Solvent 49.22%
    Camphoreous 46.99%
    Fermented 46.57%
    Musty 42.61%
    Oily 37.22%
    Herbal 36.47%
    Earthy 35.23%
    Floral 34.9%
    Woody 32.93%

     

    Flavor
    Minty 35.22%
    Camphor 33.73%
    Medicinal 27.37%
    Phenol 23.82%
    Musty 23.55%
    Beet 21.83%
    Soil 21.62%
    Menthol 21.26%
    Mentholic 21.02%
    Cauliflower 20.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.2 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -9.2 °C (cis-isomer)

    Boiling point

    • 173 °C

    Flash point

    • 67.91 ˚C est.
    • 70 °C c.c.

    Solubility expt.

    • Solubility in water: poor

  • Synonyms

    • 4-METHYLCYCLOHEXANOL
    • trans-4-Methylcyclohexanol
    • cis-4-Methylcyclohexanol
    • 589-91-3
    • 7731-29-5
    • 7731-28-4
    • 4-methylcyclohexan-1-ol
    • Cyclohexanol, 4-methyl-
    • 1-Methyl-4-cyclohexanol
    • Cyclohexanol, 4-methyl-, trans-
    • 4-methylcyclohexyl alcohol
    • p-Methylcyclohexanol
    • Cyclohexanol, 4-methyl-, cis-
    • 4-Methylhexalin
    • Hexahydro-p-cresol
    • MFCD00001449
    • 1UK9W4X7H9
    • NSC 3714
    • NSC-3714
    • EINECS 209-664-8
    • MFCD00064171
    • ZLJ21O6WVR
    • 4-Methylcyclohexanol, cis-
    • 4-Methylcyclohexanol, trans-
    • AI3-01169
    • JUW70559WV
    • DTXSID0060434
    • Trans 4-Methyl cyclohexanol
    • Cis-4-Methylcyclohexanol98%
    • pMethylcyclohexanol
    • EINECS 231-789-1
    • EINECS 231-790-7
    • 1Methyl4cyclohexanol
    • MFCD00064170
    • pHexahydromethylphenol
    • 4Hexahydromethylphenol
    • Cyclohexanol, 4methyl
    • p-Hexahydromethylphenol
    • 4-Hexahydromethylphenol
    • 4-methyl-1-cyclohexanol
    • 4-Methylcyclohexanol,c&t
    • UNII-ZLJ21O6WVR
    • cis-4-Methyl-cyclohexanol
    • 4-methyl-cyclohexan-1-ol
    • trans-4-methyl-cyclohexanol
    • UNII-1UK9W4X7H9
    • UNII-JUW70559WV
    • SCHEMBL11799
    • 4-Methyl cyclohexanol, cis-
    • 4-Methylcyclohexanol, (E)-
    • 4-Methylcyclohexanol, (Z)-
    • 1-hydroxy-4-methylcyclohexane
    • SCHEMBL178952
    • SCHEMBL181159
    • SCHEMBL441286
    • 4-Methylcyclohexanol cis+trans
    • trans-4-methylcyclohexan-1-ol
    • 4-Methyl cyclohexanol, trans-
    • (1r,4r)-4-methylcyclohexanol
    • (1s,4s)-4-methylcyclohexanol
    • SCHEMBL7909834
    • cis-4-Methylcyclohexanol, 98%
    • DTXCID6042498
    • BDBM36145
    • BDBM36193
    • NSC3714
    • CHEBI:232315
    • trans-4-Methylcyclohexanol, 97%
    • 4Methylcyclohexanol, mixed isomers
    • DTXSID301032962
    • DTXSID701032964
    • (1r,4r)-4-methylcyclohexan-1-ol
    • 4-METHYLCYCLOHEXANOL (TRANS)
    • AKOS000119784
    • AKOS017343697
    • AKOS025295736
    • SB66832
    • SB84127
    • 4-Methylcyclohexanol, cis + trans, 98%
    • AS-60626
    • SY043391
    • DB-056207
    • DB-056208
    • DB-072549
    • CS-0059254
    • CS-0180937
    • CS-0180938
    • M0196
    • M0353
    • M0354
    • NS00022439
    • NS00081346
    • NS00081388
    • 4-Methylcyclohexanol,mixture of cis and trans
    • EN300-19924
    • 4-Methylcyclohexanol (cis- and trans- mixture)
    • D73186
    • D91323
    • A839037
    • Q2233075
    • 4-Methylcyclohexanol, purum, cis+trans, >=98.0% (GC)
    • F8880-5214
    • Z104476106
    • 209-664-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 608.83
    methanol 427.55
    isopropanol 665.0
    water 1.49
    ethyl acetate 376.07
    n-propanol 596.37
    acetone 395.87
    n-butanol 514.84
    acetonitrile 293.41
    DMF 304.04
    toluene 103.13
    isobutanol 395.83
    1,4-dioxane 504.5
    methyl acetate 349.11
    THF 771.05
    2-butanone 400.78
    n-pentanol 296.74
    sec-butanol 473.98
    n-hexane 63.77
    ethylene glycol 121.71
    NMP 193.49
    cyclohexane 59.56
    DMSO 348.01
    n-butyl acetate 393.6
    n-octanol 205.95
    chloroform 736.57
    n-propyl acetate 195.09
    acetic acid 297.9
    dichloromethane 431.04
    cyclohexanone 355.32
    propylene glycol 236.21
    isopropyl acetate 209.12
    DMAc 204.19
    2-ethoxyethanol 301.85
    isopentanol 380.13
    n-heptane 77.64
    ethyl formate 216.47
    1,2-dichloroethane 258.6
    n-hexanol 600.5
    2-methoxyethanol 519.52
    isobutyl acetate 134.99
    tetrachloromethane 150.95
    n-pentyl acetate 172.0
    transcutol 728.47
    n-heptanol 245.66
    ethylbenzene 67.75
    MIBK 182.58
    2-propoxyethanol 684.07
    tert-butanol 651.06
    MTBE 359.43
    2-butoxyethanol 356.75
    propionic acid 378.96
    o-xylene 74.87
    formic acid 85.21
    diethyl ether 308.69
    m-xylene 91.34
    p-xylene 82.16
    chlorobenzene 159.35
    dimethyl carbonate 66.04
    n-octane 28.24
    formamide 101.79
    cyclopentanone 490.71
    2-pentanone 304.06
    anisole 140.5
    cyclopentyl methyl ether 286.29
    gamma-butyrolactone 457.18
    1-methoxy-2-propanol 493.12
    pyridine 345.08
    3-pentanone 181.3
    furfural 347.51
    n-dodecane 21.01
    diethylene glycol 406.01
    diisopropyl ether 104.82
    tert-amyl alcohol 400.89
    acetylacetone 237.29
    n-hexadecane 22.96
    acetophenone 109.33
    methyl propionate 239.68
    isopentyl acetate 285.45
    trichloroethylene 465.86
    n-nonanol 171.33
    cyclohexanol 259.1
    benzyl alcohol 131.64
    2-ethylhexanol 276.83
    isooctanol 178.71
    dipropyl ether 296.48
    1,2-dichlorobenzene 133.64
    ethyl lactate 108.65
    propylene carbonate 256.5
    n-methylformamide 250.59
    2-pentanol 335.81
    n-pentane 55.99
    1-propoxy-2-propanol 538.87
    1-methoxy-2-propyl acetate 272.32
    2-(2-methoxypropoxy) propanol 208.18
    mesitylene 63.19
    ε-caprolactone 305.24
    p-cymene 77.35
    epichlorohydrin 434.02
    1,1,1-trichloroethane 343.29
    2-aminoethanol 310.81
    morpholine-4-carbaldehyde 298.98
    sulfolane 345.55
    2,2,4-trimethylpentane 29.32
    2-methyltetrahydrofuran 479.67
    n-hexyl acetate 226.89
    isooctane 32.46
    2-(2-butoxyethoxy)ethanol 336.77
    sec-butyl acetate 135.26
    tert-butyl acetate 201.79
    decalin 30.12
    glycerin 245.05
    diglyme 495.46
    acrylic acid 238.49
    isopropyl myristate 89.2
    n-butyric acid 516.87
    acetyl acetate 160.89
    di(2-ethylhexyl) phthalate 78.61
    ethyl propionate 160.83
    nitromethane 357.0
    1,2-diethoxyethane 295.74
    benzonitrile 187.37
    trioctyl phosphate 70.88
    1-bromopropane 245.37
    gamma-valerolactone 535.08
    n-decanol 128.39
    triethyl phosphate 76.93
    4-methyl-2-pentanol 195.16
    propionitrile 366.64
    vinylene carbonate 219.91
    1,1,2-trichlorotrifluoroethane 307.15
    DMS 115.31
    cumene 56.75
    2-octanol 153.9
    2-hexanone 210.91
    octyl acetate 115.28
    limonene 112.84
    1,2-dimethoxyethane 368.7
    ethyl orthosilicate 82.83
    tributyl phosphate 75.91
    diacetone alcohol 269.92
    N,N-dimethylaniline 83.93
    acrylonitrile 353.64
    aniline 177.59
    1,3-propanediol 404.51
    bromobenzene 152.13
    dibromomethane 339.19
    1,1,2,2-tetrachloroethane 419.44
    2-methyl-cyclohexyl acetate 135.56
    tetrabutyl urea 89.64
    diisobutyl methanol 155.18
    2-phenylethanol 209.23
    styrene 80.4
    dioctyl adipate 96.99
    dimethyl sulfate 87.79
    ethyl butyrate 222.89
    methyl lactate 145.85
    butyl lactate 158.15
    diethyl carbonate 125.68
    propanediol butyl ether 265.41
    triethyl orthoformate 147.89
    p-tert-butyltoluene 79.14
    methyl 4-tert-butylbenzoate 136.72
    morpholine 542.57
    tert-butylamine 430.59
    n-dodecanol 97.01
    dimethoxymethane 229.69
    ethylene carbonate 194.41
    cyrene 120.02
    2-ethoxyethyl acetate 206.93
    2-ethylhexyl acetate 207.66
    1,2,4-trichlorobenzene 146.31
    4-methylpyridine 273.0
    dibutyl ether 181.5
    2,6-dimethyl-4-heptanol 155.18
    DEF 204.05
    dimethyl isosorbide 266.09
    tetrachloroethylene 269.3
    eugenol 148.14
    triacetin 152.57
    span 80 220.64
    1,4-butanediol 144.19
    1,1-dichloroethane 414.0
    2-methyl-1-pentanol 204.84
    methyl formate 152.21
    2-methyl-1-butanol 309.57
    n-decane 36.78
    butyronitrile 382.94
    3,7-dimethyl-1-octanol 190.78
    1-chlorooctane 112.46
    1-chlorotetradecane 42.33
    n-nonane 36.35
    undecane 26.92
    tert-butylcyclohexane 36.89
    cyclooctane 23.74
    cyclopentanol 348.68
    tetrahydropyran 497.93
    tert-amyl methyl ether 198.1
    2,5,8-trioxanonane 307.55
    1-hexene 187.62
    2-isopropoxyethanol 242.17
    2,2,2-trifluoroethanol 101.56
    methyl butyrate 203.44

    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