1,2,2-Trimethylcyclohexanol

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  • Identifiers

    CAS number
    1321-60-4

    Molecular formula
    C9H18O

    SMILES
    CC1(CCCCC1(C)O)C

  • Odor profile

    Fragrance
    Camphoreous 66.46%
    Earthy 57.55%
    Mint 52.13%
    Musty 51.67%
    Woody 44.33%
    Herbal 39.4%
    Pine 38.32%
    Cooling 34.71%
    Green 33.37%
    Sweet 30.13%

     

    Flavor
    Camphor 51.72%
    Woody 47.82%
    Herbal 43.02%
    Earthy 41.49%
    Sweet 39.16%
    Pine 35.37%
    Pungent 31.87%
    Musty 29.37%
    Earth 28.35%
    Dry 27.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    10.27 (weak base)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    185°C

    Flash point

    • 68.37 ˚C est.

  • Synonyms

    • Trimethylcyclohexanol
    • 1,2,2-trimethylcyclohexanol
    • 1,2,2-trimethylcyclohexan-1-ol
    • 1321-60-4
    • Cyclohexanol, trimethyl-
    • SCHEMBL119568
    • DTXSID00862625
    • UENOQWSWMYJKIW-UHFFFAOYSA-N
    • AKOS018412192
    • DB-267040
    • DB-267041

  • Applications

    1,2,2-Trimethylcyclohexanol (CAS 1321-60-4) may be used primarily as an intermediate in organic synthesis, enabling access to other cyclohexane derivatives and related esters and ethers; it is also evaluated as a pharmaceutical intermediate and building block for drug development; in industrial contexts, it can serve as a specialty solvent or processing aid for certain formulations and as a reactive intermediate in coatings and inks; it can further act as a precursor in polymer and plastic additive chemistry, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 875.93
    methanol 1043.13
    isopropanol 740.47
    water 6.82
    ethyl acetate 585.46
    n-propanol 740.79
    acetone 465.56
    n-butanol 673.02
    acetonitrile 546.36
    DMF 518.56
    toluene 249.61
    isobutanol 502.58
    1,4-dioxane 1094.91
    methyl acetate 492.75
    THF 1435.2
    2-butanone 458.02
    n-pentanol 392.11
    sec-butanol 581.24
    n-hexane 155.27
    ethylene glycol 144.16
    NMP 386.97
    cyclohexane 166.8
    DMSO 330.47
    n-butyl acetate 508.42
    n-octanol 319.32
    chloroform 1144.89
    n-propyl acetate 287.07
    acetic acid 405.67
    dichloromethane 777.49
    cyclohexanone 538.94
    propylene glycol 228.98
    isopropyl acetate 401.0
    DMAc 398.24
    2-ethoxyethanol 480.46
    isopentanol 517.44
    n-heptane 158.77
    ethyl formate 342.35
    1,2-dichloroethane 431.48
    n-hexanol 729.74
    2-methoxyethanol 757.34
    isobutyl acetate 216.89
    tetrachloromethane 332.13
    n-pentyl acetate 296.63
    transcutol 1378.75
    n-heptanol 381.4
    ethylbenzene 154.14
    MIBK 317.92
    2-propoxyethanol 870.52
    tert-butanol 840.41
    MTBE 685.06
    2-butoxyethanol 498.25
    propionic acid 436.68
    o-xylene 183.86
    formic acid 216.96
    diethyl ether 707.1
    m-xylene 205.88
    p-xylene 216.1
    chlorobenzene 303.52
    dimethyl carbonate 148.19
    n-octane 59.94
    formamide 325.28
    cyclopentanone 645.92
    2-pentanone 421.28
    anisole 309.68
    cyclopentyl methyl ether 553.9
    gamma-butyrolactone 691.76
    1-methoxy-2-propanol 656.88
    pyridine 518.03
    3-pentanone 315.99
    furfural 529.96
    n-dodecane 37.07
    diethylene glycol 485.88
    diisopropyl ether 283.19
    tert-amyl alcohol 634.57
    acetylacetone 384.27
    n-hexadecane 40.79
    acetophenone 224.93
    methyl propionate 386.87
    isopentyl acetate 414.84
    trichloroethylene 702.02
    n-nonanol 282.86
    cyclohexanol 408.17
    benzyl alcohol 225.07
    2-ethylhexanol 387.33
    isooctanol 300.5
    dipropyl ether 503.64
    1,2-dichlorobenzene 283.4
    ethyl lactate 150.93
    propylene carbonate 413.87
    n-methylformamide 428.26
    2-pentanol 463.16
    n-pentane 162.5
    1-propoxy-2-propanol 634.2
    1-methoxy-2-propyl acetate 437.65
    2-(2-methoxypropoxy) propanol 365.65
    mesitylene 158.96
    ε-caprolactone 492.1
    p-cymene 152.91
    epichlorohydrin 669.97
    1,1,1-trichloroethane 603.58
    2-aminoethanol 400.31
    morpholine-4-carbaldehyde 596.82
    sulfolane 523.77
    2,2,4-trimethylpentane 82.93
    2-methyltetrahydrofuran 827.49
    n-hexyl acetate 399.3
    isooctane 86.32
    2-(2-butoxyethoxy)ethanol 540.91
    sec-butyl acetate 235.81
    tert-butyl acetate 435.69
    decalin 87.78
    glycerin 263.61
    diglyme 793.77
    acrylic acid 299.62
    isopropyl myristate 172.6
    n-butyric acid 600.19
    acetyl acetate 324.21
    di(2-ethylhexyl) phthalate 134.99
    ethyl propionate 274.91
    nitromethane 567.51
    1,2-diethoxyethane 579.75
    benzonitrile 293.7
    trioctyl phosphate 114.75
    1-bromopropane 407.08
    gamma-valerolactone 761.69
    n-decanol 206.79
    triethyl phosphate 151.13
    4-methyl-2-pentanol 319.69
    propionitrile 561.23
    vinylene carbonate 373.57
    1,1,2-trichlorotrifluoroethane 410.7
    DMS 238.98
    cumene 136.88
    2-octanol 239.54
    2-hexanone 300.54
    octyl acetate 198.62
    limonene 212.47
    1,2-dimethoxyethane 658.57
    ethyl orthosilicate 168.57
    tributyl phosphate 137.63
    diacetone alcohol 418.14
    N,N-dimethylaniline 228.47
    acrylonitrile 480.62
    aniline 350.13
    1,3-propanediol 490.44
    bromobenzene 319.76
    dibromomethane 562.48
    1,1,2,2-tetrachloroethane 642.24
    2-methyl-cyclohexyl acetate 250.46
    tetrabutyl urea 148.49
    diisobutyl methanol 252.47
    2-phenylethanol 330.44
    styrene 170.34
    dioctyl adipate 180.55
    dimethyl sulfate 177.8
    ethyl butyrate 350.01
    methyl lactate 193.56
    butyl lactate 223.99
    diethyl carbonate 228.12
    propanediol butyl ether 362.56
    triethyl orthoformate 272.03
    p-tert-butyltoluene 168.67
    methyl 4-tert-butylbenzoate 286.97
    morpholine 1071.73
    tert-butylamine 680.67
    n-dodecanol 150.45
    dimethoxymethane 507.81
    ethylene carbonate 349.46
    cyrene 222.84
    2-ethoxyethyl acetate 359.97
    2-ethylhexyl acetate 325.42
    1,2,4-trichlorobenzene 305.81
    4-methylpyridine 465.33
    dibutyl ether 336.22
    2,6-dimethyl-4-heptanol 252.47
    DEF 372.94
    dimethyl isosorbide 518.91
    tetrachloroethylene 506.11
    eugenol 257.39
    triacetin 276.04
    span 80 335.5
    1,4-butanediol 186.24
    1,1-dichloroethane 575.36
    2-methyl-1-pentanol 330.99
    methyl formate 267.91
    2-methyl-1-butanol 446.69
    n-decane 70.29
    butyronitrile 568.07
    3,7-dimethyl-1-octanol 304.11
    1-chlorooctane 189.65
    1-chlorotetradecane 76.44
    n-nonane 69.71
    undecane 48.69
    tert-butylcyclohexane 102.3
    cyclooctane 74.11
    cyclopentanol 473.47
    tetrahydropyran 913.04
    tert-amyl methyl ether 442.08
    2,5,8-trioxanonane 539.18
    1-hexene 311.31
    2-isopropoxyethanol 365.67
    2,2,2-trifluoroethanol 192.26
    methyl butyrate 315.52

    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