1-Methylcyclohexanol

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  • Identifiers

    CAS number
    590-67-0

    Molecular formula
    C7H14O

    SMILES
    CC1(CCCCC1)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Camphoreous 58.47%
    Mint 53.93%
    Woody 47.3%
    Musty 41.69%
    Earthy 39.29%
    Solvent 35.35%
    Herbal 33.55%
    Pine 31.48%
    Floral 31.12%
    Animal 29.33%

     

    Flavor
    Camphor 32.54%
    Earthy 29.36%
    Minty 27.05%
    Sweet 24.37%
    Musty 24.26%
    Pungent 23.77%
    Soil 21.9%
    Beet 21.86%
    Terpenic 21.76%
    Woody 20.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    10.11 (weak base)

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 25 °C

    Boiling point

    • 155 °C

    Flash point

    • 57.1 ˚C est.
    • 67 °C

  • Synonyms

    • 1-METHYLCYCLOHEXANOL
    • 590-67-0
    • Cyclohexanol, 1-methyl-
    • 1-Methyl-1-cyclohexanol
    • NSC 1247
    • EINECS 209-688-9
    • AI3-15917
    • DTXSID00207739
    • RefChem:76377
    • DTXCID00130230
    • 209-688-9
    • InChI=1/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H
    • VTBOTOBFGSVRMA-UHFFFAOYSA-N
    • 1-methylcyclohexan-1-ol
    • 1-methyl-cyclohexanol
    • MFCD00003857
    • Cyclohexanol,methyl-
    • 1-methyl-cyclohexan-1-ol
    • 1-Methylcyclohexanol, 96%
    • SCHEMBL23176
    • SCHEMBL41593
    • ghl.PD_Mitscher_leg0.946
    • SCHEMBL498933
    • SCHEMBL581852
    • SCHEMBL2291199
    • SCHEMBL4582480
    • SCHEMBL8611417
    • SCHEMBL9191228
    • SCHEMBL11109306
    • BDBM36189
    • CHEBI:89474
    • NSC1247
    • NSC-1247
    • SBB061165
    • AKOS009157284
    • AC-8843
    • CS-W013634
    • EBC-152098
    • FD14069
    • AS-48899
    • DB-050496
    • M0328
    • NS00022446
    • ST51047218
    • EN300-86200
    • F462663
    • Q2985533
    • Z449370586
    • 590-67-0

  • Applications

    1-Methylcyclohexanol (CAS 590-67-0) is used as an organic synthesis intermediate and as a solvent/co-solvent in coatings, inks, and cleaning formulations; it serves as a building block for fragrance and flavor ingredients in perfumery and flavor applications; it can be employed as a starting material for pharmaceutical and agrochemical intermediates; it may be used to prepare polyurethane polyols and other polymeric materials; and it is sometimes considered a reactive diluent or plasticizer component for specialty coatings, subject to formulation needs and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1247.34
    methanol 1290.74
    isopropanol 902.97
    water 3.6
    ethyl acetate 550.03
    n-propanol 930.95
    acetone 548.36
    n-butanol 880.3
    acetonitrile 418.48
    DMF 382.18
    toluene 145.66
    isobutanol 516.77
    1,4-dioxane 811.94
    methyl acetate 436.43
    THF 1333.84
    2-butanone 516.07
    n-pentanol 480.47
    sec-butanol 645.27
    n-hexane 246.73
    ethylene glycol 149.38
    NMP 347.69
    cyclohexane 182.71
    DMSO 350.54
    n-butyl acetate 541.61
    n-octanol 320.44
    chloroform 1001.33
    n-propyl acetate 287.15
    acetic acid 489.74
    dichloromethane 621.31
    cyclohexanone 515.54
    propylene glycol 279.0
    isopropyl acetate 319.29
    DMAc 278.52
    2-ethoxyethanol 450.38
    isopentanol 557.82
    n-heptane 232.2
    ethyl formate 295.31
    1,2-dichloroethane 313.52
    n-hexanol 862.57
    2-methoxyethanol 811.98
    isobutyl acetate 183.2
    tetrachloromethane 227.89
    n-pentyl acetate 289.38
    transcutol 1303.16
    n-heptanol 365.86
    ethylbenzene 74.93
    MIBK 258.57
    2-propoxyethanol 879.43
    tert-butanol 758.13
    MTBE 546.03
    2-butoxyethanol 457.8
    propionic acid 514.75
    o-xylene 97.18
    formic acid 192.69
    diethyl ether 806.17
    m-xylene 111.34
    p-xylene 98.61
    chlorobenzene 184.82
    dimethyl carbonate 81.71
    n-octane 69.67
    formamide 200.81
    cyclopentanone 635.36
    2-pentanone 460.4
    anisole 154.76
    cyclopentyl methyl ether 506.66
    gamma-butyrolactone 616.87
    1-methoxy-2-propanol 639.69
    pyridine 383.9
    3-pentanone 308.99
    furfural 385.92
    n-dodecane 41.99
    diethylene glycol 485.17
    diisopropyl ether 230.93
    tert-amyl alcohol 547.26
    acetylacetone 280.45
    n-hexadecane 45.0
    acetophenone 122.91
    methyl propionate 337.83
    isopentyl acetate 376.75
    trichloroethylene 504.13
    n-nonanol 275.19
    cyclohexanol 446.26
    benzyl alcohol 144.14
    2-ethylhexanol 420.49
    isooctanol 256.83
    dipropyl ether 576.56
    1,2-dichlorobenzene 150.3
    ethyl lactate 132.4
    propylene carbonate 340.58
    n-methylformamide 341.58
    2-pentanol 546.94
    n-pentane 237.59
    1-propoxy-2-propanol 696.12
    1-methoxy-2-propyl acetate 366.22
    2-(2-methoxypropoxy) propanol 291.5
    mesitylene 82.04
    ε-caprolactone 463.67
    p-cymene 95.41
    epichlorohydrin 506.37
    1,1,1-trichloroethane 396.95
    2-aminoethanol 424.24
    morpholine-4-carbaldehyde 425.29
    sulfolane 424.56
    2,2,4-trimethylpentane 71.93
    2-methyltetrahydrofuran 823.31
    n-hexyl acetate 387.01
    isooctane 66.58
    2-(2-butoxyethoxy)ethanol 498.84
    sec-butyl acetate 194.18
    tert-butyl acetate 305.1
    decalin 64.9
    glycerin 293.68
    diglyme 665.6
    acrylic acid 320.48
    isopropyl myristate 145.19
    n-butyric acid 759.05
    acetyl acetate 232.86
    di(2-ethylhexyl) phthalate 107.3
    ethyl propionate 240.43
    nitromethane 467.45
    1,2-diethoxyethane 552.5
    benzonitrile 196.87
    trioctyl phosphate 98.2
    1-bromopropane 400.21
    gamma-valerolactone 622.25
    n-decanol 199.21
    triethyl phosphate 102.24
    4-methyl-2-pentanol 278.09
    propionitrile 505.19
    vinylene carbonate 254.94
    1,1,2-trichlorotrifluoroethane 364.77
    DMS 159.61
    cumene 69.45
    2-octanol 229.88
    2-hexanone 315.48
    octyl acetate 188.48
    limonene 168.14
    1,2-dimethoxyethane 535.85
    ethyl orthosilicate 116.78
    tributyl phosphate 120.22
    diacetone alcohol 319.67
    N,N-dimethylaniline 105.63
    acrylonitrile 388.45
    aniline 245.6
    1,3-propanediol 558.89
    bromobenzene 174.77
    dibromomethane 497.79
    1,1,2,2-tetrachloroethane 459.42
    2-methyl-cyclohexyl acetate 197.04
    tetrabutyl urea 131.73
    diisobutyl methanol 215.19
    2-phenylethanol 231.28
    styrene 87.43
    dioctyl adipate 156.56
    dimethyl sulfate 94.67
    ethyl butyrate 315.67
    methyl lactate 163.93
    butyl lactate 221.87
    diethyl carbonate 164.63
    propanediol butyl ether 372.64
    triethyl orthoformate 228.48
    p-tert-butyltoluene 100.94
    methyl 4-tert-butylbenzoate 169.84
    morpholine 904.57
    tert-butylamine 610.34
    n-dodecanol 148.06
    dimethoxymethane 347.4
    ethylene carbonate 251.39
    cyrene 157.37
    2-ethoxyethyl acetate 296.48
    2-ethylhexyl acetate 301.5
    1,2,4-trichlorobenzene 167.94
    4-methylpyridine 321.14
    dibutyl ether 390.35
    2,6-dimethyl-4-heptanol 215.19
    DEF 341.11
    dimethyl isosorbide 346.68
    tetrachloroethylene 331.71
    eugenol 168.18
    triacetin 227.85
    span 80 321.06
    1,4-butanediol 184.23
    1,1-dichloroethane 465.89
    2-methyl-1-pentanol 317.17
    methyl formate 200.07
    2-methyl-1-butanol 487.64
    n-decane 80.81
    butyronitrile 593.3
    3,7-dimethyl-1-octanol 279.58
    1-chlorooctane 187.34
    1-chlorotetradecane 74.37
    n-nonane 84.41
    undecane 55.27
    tert-butylcyclohexane 76.96
    cyclooctane 71.83
    cyclopentanol 522.84
    tetrahydropyran 924.17
    tert-amyl methyl ether 357.71
    2,5,8-trioxanonane 422.64
    1-hexene 446.85
    2-isopropoxyethanol 336.77
    2,2,2-trifluoroethanol 143.85
    methyl butyrate 279.5

    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