Cyclohexanemethanol, 3,5-dimethyl-

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  • Identifiers

    CAS number
    68480-16-0

    Molecular formula
    C9H18O

    SMILES
    CC1CC(CC(C1)CO)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 43.06%
    Mint 36.45%
    Fresh 35.01%
    Green 34.49%
    Herbal 31.01%
    Woody 26.82%
    Citrus 25.89%
    Earthy 25.29%
    Muguet 25.04%
    Musty 24.8%

     

    Flavor
    Sweet 38.72%
    Herbal 30.18%
    Minty 30.09%
    Musty 30.08%
    Fruity 28.29%
    Earthy 26.81%
    Herb 26.43%
    Spicy 25.13%
    Fruit 24.57%
    Mentholic 22.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.41 (weak base)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point

    • 89.53 ˚C est.

  • Synonyms

    • 3,5-Dimethylcyclohexanemethanol
    • Cyclohexanemethanol, 3,5-dimethyl-
    • EINECS 270-893-1
    • DTXSID50867645
    • RefChem:129582
    • DTXCID40815817
    • 270-893-1
    • (3,5-dimethylcyclohexyl)methanol
    • 68480-16-0
    • MFCD20404889
    • SCHEMBL5243600
    • GEVHTUNKMMCORO-UHFFFAOYSA-N
    • AKOS014058594
    • PB43281
    • SY321306
    • CS-0185402
    • NS00062666
    • P18074
    • EN300-1653443
    • 68480-16-0

  • Applications

    Cyclohexanemethanol, 3,5-dimethyl- (CAS 68480-16-0) is primarily used as a chemical intermediate in fragrance and aroma chemistry, serving as a versatile building block for the synthesis of aroma compounds such as esters and other odorants. It is also encountered in cosmetics and personal care as a fragrance ingredient or processing aid in small quantities. In the polymers and plastics sector, it can be converted to hydroxy-functional monomers suitable as polyols for polyurethane or other resin systems, enabling incorporation of cyclohexane moieties into materials. In coatings and inks, it may be used as an intermediate for specialty resins or as a processing aid/solvent in certain formulations. In industrial manufacturing, it is employed as a building block for the production of more complex molecules, with use subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1473.16
    methanol 1420.93
    isopropanol 1354.91
    water 1.14
    ethyl acetate 661.3
    n-propanol 1226.67
    acetone 940.36
    n-butanol 1117.24
    acetonitrile 716.21
    DMF 482.83
    toluene 234.9
    isobutanol 858.27
    1,4-dioxane 1337.52
    methyl acetate 587.27
    THF 2308.37
    2-butanone 698.98
    n-pentanol 503.19
    sec-butanol 765.32
    n-hexane 148.66
    ethylene glycol 187.59
    NMP 426.15
    cyclohexane 181.65
    DMSO 702.38
    n-butyl acetate 927.7
    n-octanol 302.72
    chloroform 1388.86
    n-propyl acetate 377.51
    acetic acid 593.58
    dichloromethane 950.67
    cyclohexanone 849.93
    propylene glycol 283.05
    isopropyl acetate 419.35
    DMAc 242.85
    2-ethoxyethanol 499.59
    isopentanol 802.33
    n-heptane 165.58
    ethyl formate 471.7
    1,2-dichloroethane 659.57
    n-hexanol 1133.08
    2-methoxyethanol 989.59
    isobutyl acetate 275.27
    tetrachloromethane 340.68
    n-pentyl acetate 317.94
    transcutol 1099.71
    n-heptanol 397.7
    ethylbenzene 115.98
    MIBK 403.43
    2-propoxyethanol 1224.78
    tert-butanol 1346.61
    MTBE 936.86
    2-butoxyethanol 572.69
    propionic acid 582.26
    o-xylene 141.53
    formic acid 172.67
    diethyl ether 856.14
    m-xylene 201.36
    p-xylene 140.79
    chlorobenzene 331.56
    dimethyl carbonate 108.72
    n-octane 54.26
    formamide 164.5
    cyclopentanone 1089.41
    2-pentanone 659.43
    anisole 232.4
    cyclopentyl methyl ether 796.28
    gamma-butyrolactone 1132.83
    1-methoxy-2-propanol 758.22
    pyridine 620.06
    3-pentanone 364.42
    furfural 672.31
    n-dodecane 32.96
    diethylene glycol 626.63
    diisopropyl ether 280.48
    tert-amyl alcohol 666.68
    acetylacetone 449.89
    n-hexadecane 37.17
    acetophenone 178.93
    methyl propionate 389.66
    isopentyl acetate 694.31
    trichloroethylene 1032.42
    n-nonanol 248.8
    cyclohexanol 611.01
    benzyl alcohol 191.98
    2-ethylhexanol 517.04
    isooctanol 311.89
    dipropyl ether 687.48
    1,2-dichlorobenzene 273.12
    ethyl lactate 152.57
    propylene carbonate 545.73
    n-methylformamide 494.73
    2-pentanol 617.85
    n-pentane 155.71
    1-propoxy-2-propanol 957.67
    1-methoxy-2-propyl acetate 550.73
    2-(2-methoxypropoxy) propanol 267.23
    mesitylene 143.73
    ε-caprolactone 650.57
    p-cymene 143.1
    epichlorohydrin 1110.46
    1,1,1-trichloroethane 772.56
    2-aminoethanol 453.41
    morpholine-4-carbaldehyde 570.18
    sulfolane 895.81
    2,2,4-trimethylpentane 66.48
    2-methyltetrahydrofuran 1330.05
    n-hexyl acetate 409.19
    isooctane 81.61
    2-(2-butoxyethoxy)ethanol 474.68
    sec-butyl acetate 246.13
    tert-butyl acetate 475.36
    decalin 63.91
    glycerin 292.95
    diglyme 788.4
    acrylic acid 354.98
    isopropyl myristate 153.32
    n-butyric acid 982.43
    acetyl acetate 284.46
    di(2-ethylhexyl) phthalate 126.3
    ethyl propionate 268.28
    nitromethane 689.48
    1,2-diethoxyethane 555.26
    benzonitrile 335.67
    trioctyl phosphate 122.0
    1-bromopropane 627.13
    gamma-valerolactone 1126.84
    n-decanol 182.9
    triethyl phosphate 129.57
    4-methyl-2-pentanol 355.96
    propionitrile 817.44
    vinylene carbonate 420.25
    1,1,2-trichlorotrifluoroethane 515.44
    DMS 184.24
    cumene 94.67
    2-octanol 227.71
    2-hexanone 398.26
    octyl acetate 191.21
    limonene 238.94
    1,2-dimethoxyethane 752.13
    ethyl orthosilicate 145.8
    tributyl phosphate 135.03
    diacetone alcohol 491.02
    N,N-dimethylaniline 137.11
    acrylonitrile 683.61
    aniline 307.69
    1,3-propanediol 711.87
    bromobenzene 333.28
    dibromomethane 786.66
    1,1,2,2-tetrachloroethane 822.38
    2-methyl-cyclohexyl acetate 270.87
    tetrabutyl urea 147.48
    diisobutyl methanol 298.92
    2-phenylethanol 339.24
    styrene 133.2
    dioctyl adipate 164.17
    dimethyl sulfate 143.74
    ethyl butyrate 435.18
    methyl lactate 188.21
    butyl lactate 242.3
    diethyl carbonate 224.04
    propanediol butyl ether 362.01
    triethyl orthoformate 279.15
    p-tert-butyltoluene 148.32
    methyl 4-tert-butylbenzoate 212.67
    morpholine 1343.84
    tert-butylamine 953.34
    n-dodecanol 136.77
    dimethoxymethane 471.56
    ethylene carbonate 396.31
    cyrene 190.11
    2-ethoxyethyl acetate 345.68
    2-ethylhexyl acetate 471.44
    1,2,4-trichlorobenzene 295.7
    4-methylpyridine 526.81
    dibutyl ether 349.92
    2,6-dimethyl-4-heptanol 298.92
    DEF 406.44
    dimethyl isosorbide 432.57
    tetrachloroethylene 563.89
    eugenol 212.43
    triacetin 217.06
    span 80 284.87
    1,4-butanediol 223.39
    1,1-dichloroethane 946.8
    2-methyl-1-pentanol 339.92
    methyl formate 348.83
    2-methyl-1-butanol 609.34
    n-decane 60.65
    butyronitrile 987.45
    3,7-dimethyl-1-octanol 295.5
    1-chlorooctane 205.54
    1-chlorotetradecane 70.48
    n-nonane 65.59
    undecane 42.85
    tert-butylcyclohexane 78.11
    cyclooctane 67.29
    cyclopentanol 733.78
    tetrahydropyran 1431.41
    tert-amyl methyl ether 436.22
    2,5,8-trioxanonane 418.09
    1-hexene 375.11
    2-isopropoxyethanol 383.57
    2,2,2-trifluoroethanol 158.73
    methyl butyrate 369.94

    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