2,4-Dimethylcyclohexan-1-ol

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  • Identifiers

    CAS number
    69542-91-2

    Molecular formula
    C8H16O

    SMILES
    CC1CCC(C(C1)C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 52.52%
    Herbal 47.95%
    Floral 40.5%
    Earthy 39.15%
    Musty 38.33%
    Camphoreous 38.32%
    Cooling 33.66%
    Woody 32.26%
    Solvent 32.21%
    Fresh 30.74%

     

    Flavor
    Minty 37.63%
    Herbal 28.25%
    Camphor 28.04%
    Musty 27.02%
    Herb 26.95%
    Medicinal 25.24%
    Sweet 24.19%
    Earthy 22.91%
    Mentholic 22.53%
    Beet 21.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.54 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    187°C

    Flash point

    • 70.83 ˚C est.

  • Synonyms

    • 2,4-Dimethylcyclohexan-1-ol
    • EINECS 274-037-8
    • DTXSID60989524
    • NSC 92760
    • RefChem:443779
    • DTXCID801416644
    • 274-037-8
    • 2,4-Dimethylcyclohexanol
    • 69542-91-2
    • 2,4-dimethyl-cyclohexanol
    • Cyclohexanol, 2,4-dimethyl-
    • NSC92760
    • SCHEMBL1276019
    • SCHEMBL1276020
    • SCHEMBL27490135
    • SCHEMBL27548500
    • CHEBI:229336
    • UCA54291
    • MFCD00019328
    • NSC-92760
    • AKOS011019857
    • SY185797
    • DB-055295
    • CS-0259125
    • NS00061971
    • EN300-72415
    • G35711
    • Z854051758
    • 2,4-Dimethylcyclohexanol

  • Applications

    2,4-Dimethylcyclohexan-1-ol (CAS 69542-91-2) is primarily used as a fragrance intermediate and odorant precursor in perfumery, contributing to sweet, green, or floral notes in aroma formulations; it is also evaluated as a building block for aroma chemicals in cosmetics and personal care products, and may be used as a fragrance additive in household products and cleaners. In industrial manufacturing, it serves as an intermediate in the synthesis of specialty polymers and resin modifiers, enabling modulation of hydrophobic character and processing. It is also employed as a chemical intermediate for coatings and inks formulations where cyclic aliphatic alcohols are valued. Applications are formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2504.76
    methanol 2072.3
    isopropanol 2150.92
    water 2.47
    ethyl acetate 1146.04
    n-propanol 1871.2
    acetone 1189.34
    n-butanol 1621.31
    acetonitrile 1138.8
    DMF 564.02
    toluene 289.08
    isobutanol 1218.01
    1,4-dioxane 1781.83
    methyl acetate 942.82
    THF 2474.99
    2-butanone 1027.78
    n-pentanol 806.31
    sec-butanol 1196.72
    n-hexane 169.26
    ethylene glycol 256.31
    NMP 363.73
    cyclohexane 165.3
    DMSO 742.65
    n-butyl acetate 1390.73
    n-octanol 439.88
    chloroform 1788.59
    n-propyl acetate 622.06
    acetic acid 821.51
    dichloromethane 1234.35
    cyclohexanone 894.4
    propylene glycol 404.82
    isopropyl acetate 665.01
    DMAc 322.59
    2-ethoxyethanol 800.52
    isopentanol 1215.87
    n-heptane 178.36
    ethyl formate 728.31
    1,2-dichloroethane 744.99
    n-hexanol 1654.0
    2-methoxyethanol 1385.95
    isobutyl acetate 424.85
    tetrachloromethane 424.28
    n-pentyl acetate 451.03
    transcutol 1928.93
    n-heptanol 577.29
    ethylbenzene 145.01
    MIBK 561.23
    2-propoxyethanol 1839.86
    tert-butanol 1995.73
    MTBE 1457.66
    2-butoxyethanol 834.84
    propionic acid 864.44
    o-xylene 170.78
    formic acid 274.85
    diethyl ether 1348.89
    m-xylene 234.14
    p-xylene 179.44
    chlorobenzene 387.02
    dimethyl carbonate 131.58
    n-octane 61.53
    formamide 302.67
    cyclopentanone 1101.85
    2-pentanone 900.67
    anisole 329.75
    cyclopentyl methyl ether 894.84
    gamma-butyrolactone 1105.84
    1-methoxy-2-propanol 1120.87
    pyridine 841.29
    3-pentanone 474.54
    furfural 735.93
    n-dodecane 41.44
    diethylene glycol 897.24
    diisopropyl ether 405.27
    tert-amyl alcohol 1072.47
    acetylacetone 577.94
    n-hexadecane 45.44
    acetophenone 221.59
    methyl propionate 575.77
    isopentyl acetate 961.06
    trichloroethylene 1173.3
    n-nonanol 366.19
    cyclohexanol 711.81
    benzyl alcohol 274.01
    2-ethylhexanol 755.02
    isooctanol 445.11
    dipropyl ether 906.19
    1,2-dichlorobenzene 293.81
    ethyl lactate 213.6
    propylene carbonate 573.02
    n-methylformamide 660.11
    2-pentanol 964.99
    n-pentane 186.63
    1-propoxy-2-propanol 1350.04
    1-methoxy-2-propyl acetate 726.35
    2-(2-methoxypropoxy) propanol 396.21
    mesitylene 158.66
    ε-caprolactone 781.22
    p-cymene 164.84
    epichlorohydrin 1222.16
    1,1,1-trichloroethane 908.05
    2-aminoethanol 729.85
    morpholine-4-carbaldehyde 649.05
    sulfolane 689.31
    2,2,4-trimethylpentane 83.44
    2-methyltetrahydrofuran 1469.59
    n-hexyl acetate 551.94
    isooctane 109.51
    2-(2-butoxyethoxy)ethanol 742.38
    sec-butyl acetate 390.53
    tert-butyl acetate 646.54
    decalin 68.03
    glycerin 394.73
    diglyme 1113.35
    acrylic acid 478.5
    isopropyl myristate 198.72
    n-butyric acid 1485.84
    acetyl acetate 403.36
    di(2-ethylhexyl) phthalate 148.5
    ethyl propionate 413.34
    nitromethane 1008.39
    1,2-diethoxyethane 968.96
    benzonitrile 422.1
    trioctyl phosphate 141.73
    1-bromopropane 733.27
    gamma-valerolactone 1225.64
    n-decanol 274.32
    triethyl phosphate 146.87
    4-methyl-2-pentanol 574.37
    propionitrile 1165.06
    vinylene carbonate 500.4
    1,1,2-trichlorotrifluoroethane 578.38
    DMS 226.88
    cumene 118.89
    2-octanol 334.49
    2-hexanone 613.99
    octyl acetate 245.23
    limonene 259.94
    1,2-dimethoxyethane 1101.73
    ethyl orthosilicate 172.93
    tributyl phosphate 158.35
    diacetone alcohol 627.68
    N,N-dimethylaniline 175.86
    acrylonitrile 965.35
    aniline 443.27
    1,3-propanediol 1058.09
    bromobenzene 373.46
    dibromomethane 959.62
    1,1,2,2-tetrachloroethane 869.72
    2-methyl-cyclohexyl acetate 321.38
    tetrabutyl urea 165.17
    diisobutyl methanol 401.19
    2-phenylethanol 482.55
    styrene 175.29
    dioctyl adipate 195.78
    dimethyl sulfate 144.7
    ethyl butyrate 669.63
    methyl lactate 242.46
    butyl lactate 310.13
    diethyl carbonate 306.68
    propanediol butyl ether 499.3
    triethyl orthoformate 377.64
    p-tert-butyltoluene 164.99
    methyl 4-tert-butylbenzoate 255.56
    morpholine 1811.06
    tert-butylamine 1447.54
    n-dodecanol 202.28
    dimethoxymethane 639.79
    ethylene carbonate 483.87
    cyrene 220.73
    2-ethoxyethyl acetate 487.26
    2-ethylhexyl acetate 641.81
    1,2,4-trichlorobenzene 310.8
    4-methylpyridine 718.68
    dibutyl ether 494.58
    2,6-dimethyl-4-heptanol 401.19
    DEF 532.99
    dimethyl isosorbide 536.29
    tetrachloroethylene 643.32
    eugenol 266.41
    triacetin 274.8
    span 80 392.99
    1,4-butanediol 329.86
    1,1-dichloroethane 1220.41
    2-methyl-1-pentanol 579.19
    methyl formate 415.63
    2-methyl-1-butanol 911.66
    n-decane 76.05
    butyronitrile 1410.45
    3,7-dimethyl-1-octanol 433.28
    1-chlorooctane 251.48
    1-chlorotetradecane 85.37
    n-nonane 77.44
    undecane 54.57
    tert-butylcyclohexane 90.42
    cyclooctane 63.07
    cyclopentanol 861.85
    tetrahydropyran 1668.07
    tert-amyl methyl ether 651.91
    2,5,8-trioxanonane 616.38
    1-hexene 525.06
    2-isopropoxyethanol 613.41
    2,2,2-trifluoroethanol 217.86
    methyl butyrate 572.37

    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