2,6-Dimethylcyclohexanol

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  • Identifiers

    CAS number
    5337-72-4

    Molecular formula
    C8H16O

    SMILES
    CC1CCCC(C1O)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Mint 47.75%
    Herbal 41.82%
    Camphoreous 36.5%
    Musty 35.22%
    Earthy 34.71%
    Solvent 33.11%
    Cooling 30.67%
    Woody 29.36%
    Fresh 29.15%
    Fermented 28.27%

     

    Flavor
    Minty 34.47%
    Herbal 28.89%
    Musty 27.12%
    Herb 27.0%
    Camphor 25.88%
    Sweet 25.28%
    Medicinal 22.8%
    Earthy 22.71%
    Mentholic 22.38%
    Beet 22.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.59 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    182°C

    Flash point

    • 65.02 ˚C est.

  • Synonyms

    • 2,6-DIMETHYLCYCLOHEXANOL
    • 5337-72-4
    • 2,6-Dimethylcyclohexan-1-ol
    • DTXSID70871123
    • RefChem:83313
    • DTXCID70818795
    • 226-264-9
    • Cyclohexanol, 2,6-dimethyl-
    • MFCD00001502
    • 2,6-dimethylcyclohexyl alcohol
    • alpha,alpha,alpha-2,6-Dimethylcyclohexanol
    • 2,6-Dimethylcyclohexanol,c&t
    • NSC821
    • EINECS 226-264-9
    • Cyclohexanol,6-dimethyl-
    • 2,6-dimethyl-cyclohexanol
    • SCHEMBL771194
    • 2,6-dimethyl-cyclohexan-1-ol
    • SCHEMBL1382074
    • SCHEMBL5076529
    • SCHEMBL9369110
    • CHEMBL4533790
    • SCHEMBL28019882
    • NSC 821
    • NSC-821
    • FAA33772
    • AKOS000249687
    • AKOS021983365
    • EBC-618173
    • SB83846
    • BS-22301
    • SY051478
    • CS-0206011
    • D1578
    • NS00044509
    • D89887
    • EN300-298628
    • 4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)benzamide
    • Z335244846
    • 3,3a-Diphenyl-4-thioxo-3,3a,4,8b-tetrahydro-2H-indeno[2,1-d][1,3]oxazol-2-one
    • 5337-72-4

  • Applications

    2,6-Dimethylcyclohexanol (CAS 5337-72-4) is used as an intermediate in the synthesis of fragrance and aroma compounds, and may serve as an odorant component in perfumery; it is also used as a solvent or co-solvent in industrial formulations, cosmetics/personal care, and household products; as a cyclohexanol derivative, it provides a building block for further transformations in polymers and plastics as well as coatings/inks applications; its use in consumer products is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1219.81
    methanol 1419.6
    isopropanol 815.82
    water 1.19
    ethyl acetate 682.04
    n-propanol 924.14
    acetone 644.22
    n-butanol 885.73
    acetonitrile 753.87
    DMF 316.99
    toluene 211.61
    isobutanol 564.08
    1,4-dioxane 1080.55
    methyl acetate 526.86
    THF 1758.31
    2-butanone 544.54
    n-pentanol 479.25
    sec-butanol 566.84
    n-hexane 181.77
    ethylene glycol 88.29
    NMP 311.01
    cyclohexane 194.85
    DMSO 395.07
    n-butyl acetate 1158.75
    n-octanol 273.32
    chloroform 1679.33
    n-propyl acetate 482.91
    acetic acid 575.02
    dichloromethane 1195.02
    cyclohexanone 699.9
    propylene glycol 125.33
    isopropyl acetate 416.35
    DMAc 190.71
    2-ethoxyethanol 440.21
    isopentanol 688.0
    n-heptane 178.67
    ethyl formate 509.88
    1,2-dichloroethane 681.81
    n-hexanol 885.11
    2-methoxyethanol 735.55
    isobutyl acetate 299.65
    tetrachloromethane 403.6
    n-pentyl acetate 431.37
    transcutol 1581.4
    n-heptanol 359.18
    ethylbenzene 109.29
    MIBK 334.78
    2-propoxyethanol 915.82
    tert-butanol 859.43
    MTBE 804.8
    2-butoxyethanol 521.37
    propionic acid 473.06
    o-xylene 129.98
    formic acid 185.55
    diethyl ether 1003.78
    m-xylene 154.68
    p-xylene 147.33
    chlorobenzene 350.28
    dimethyl carbonate 76.81
    n-octane 60.46
    formamide 217.27
    cyclopentanone 802.87
    2-pentanone 527.81
    anisole 209.75
    cyclopentyl methyl ether 586.18
    gamma-butyrolactone 884.03
    1-methoxy-2-propanol 481.28
    pyridine 645.51
    3-pentanone 301.62
    furfural 630.07
    n-dodecane 34.38
    diethylene glycol 406.39
    diisopropyl ether 281.61
    tert-amyl alcohol 562.96
    acetylacetone 358.24
    n-hexadecane 38.02
    acetophenone 171.83
    methyl propionate 323.17
    isopentyl acetate 815.76
    trichloroethylene 1037.64
    n-nonanol 236.73
    cyclohexanol 456.66
    benzyl alcohol 177.46
    2-ethylhexanol 516.33
    isooctanol 299.2
    dipropyl ether 712.12
    1,2-dichlorobenzene 304.12
    ethyl lactate 135.95
    propylene carbonate 514.23
    n-methylformamide 382.12
    2-pentanol 511.78
    n-pentane 193.45
    1-propoxy-2-propanol 781.16
    1-methoxy-2-propyl acetate 524.3
    2-(2-methoxypropoxy) propanol 286.21
    mesitylene 118.1
    ε-caprolactone 630.42
    p-cymene 151.17
    epichlorohydrin 894.49
    1,1,1-trichloroethane 737.0
    2-aminoethanol 272.99
    morpholine-4-carbaldehyde 454.8
    sulfolane 590.47
    2,2,4-trimethylpentane 79.16
    2-methyltetrahydrofuran 1055.0
    n-hexyl acetate 445.49
    isooctane 86.07
    2-(2-butoxyethoxy)ethanol 495.41
    sec-butyl acetate 285.57
    tert-butyl acetate 424.22
    decalin 72.38
    glycerin 153.22
    diglyme 802.03
    acrylic acid 294.53
    isopropyl myristate 163.74
    n-butyric acid 951.75
    acetyl acetate 297.52
    di(2-ethylhexyl) phthalate 124.61
    ethyl propionate 293.01
    nitromethane 661.11
    1,2-diethoxyethane 909.83
    benzonitrile 369.03
    trioctyl phosphate 110.55
    1-bromopropane 616.14
    gamma-valerolactone 873.52
    n-decanol 169.91
    triethyl phosphate 147.5
    4-methyl-2-pentanol 293.07
    propionitrile 696.72
    vinylene carbonate 422.03
    1,1,2-trichlorotrifluoroethane 427.73
    DMS 187.19
    cumene 95.27
    2-octanol 222.44
    2-hexanone 425.39
    octyl acetate 194.82
    limonene 234.04
    1,2-dimethoxyethane 756.41
    ethyl orthosilicate 177.5
    tributyl phosphate 148.5
    diacetone alcohol 341.14
    N,N-dimethylaniline 128.86
    acrylonitrile 598.73
    aniline 303.24
    1,3-propanediol 466.73
    bromobenzene 352.22
    dibromomethane 936.04
    1,1,2,2-tetrachloroethane 758.97
    2-methyl-cyclohexyl acetate 289.07
    tetrabutyl urea 142.49
    diisobutyl methanol 300.73
    2-phenylethanol 307.69
    styrene 133.53
    dioctyl adipate 171.6
    dimethyl sulfate 93.65
    ethyl butyrate 593.73
    methyl lactate 117.75
    butyl lactate 277.98
    diethyl carbonate 290.53
    propanediol butyl ether 308.73
    triethyl orthoformate 371.17
    p-tert-butyltoluene 143.85
    methyl 4-tert-butylbenzoate 195.72
    morpholine 1095.79
    tert-butylamine 713.61
    n-dodecanol 126.98
    dimethoxymethane 349.95
    ethylene carbonate 413.22
    cyrene 165.29
    2-ethoxyethyl acetate 428.96
    2-ethylhexyl acetate 597.17
    1,2,4-trichlorobenzene 301.98
    4-methylpyridine 530.16
    dibutyl ether 429.6
    2,6-dimethyl-4-heptanol 300.73
    DEF 384.18
    dimethyl isosorbide 437.65
    tetrachloroethylene 646.27
    eugenol 192.52
    triacetin 239.3
    span 80 278.61
    1,4-butanediol 149.04
    1,1-dichloroethane 812.96
    2-methyl-1-pentanol 384.0
    methyl formate 248.77
    2-methyl-1-butanol 550.09
    n-decane 66.74
    butyronitrile 912.71
    3,7-dimethyl-1-octanol 303.05
    1-chlorooctane 199.67
    1-chlorotetradecane 69.79
    n-nonane 68.69
    undecane 45.14
    tert-butylcyclohexane 80.91
    cyclooctane 73.87
    cyclopentanol 505.34
    tetrahydropyran 1151.66
    tert-amyl methyl ether 421.28
    2,5,8-trioxanonane 451.9
    1-hexene 403.22
    2-isopropoxyethanol 319.37
    2,2,2-trifluoroethanol 156.74
    methyl butyrate 412.71

    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