4-Cyclohexyl-4-methylpentan-2-ol

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  • Identifiers

    CAS number
    4999-47-7

    Molecular formula
    C12H24O

    SMILES
    CC(CC(C)(C)C1CCCCC1)O

  • Odor profile

    Fragrance
    Floral 77.82%
    Woody 67.61%
    Rose 44.57%
    Muguet 44.32%
    Lily 43.42%
    Green 41.52%
    Clean 37.21%
    Waxy 36.37%
    Amber 35.37%
    Fresh 33.93%

     

    Flavor
    Green 50.22%
    Woody 49.28%
    Floral 44.21%
    Sweet 38.05%
    Mild 36.5%
    Waxy 35.16%
    Lily 28.71%
    Fresh 28.34%
    Citrus 27.57%
    Wood 27.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.05 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 109.58 ˚C est.

  • Synonyms

    • 4-cyclohexyl-4-methylpentan-2-ol
    • AKOS014044038
    • 4999-47-7

  • Applications

    4-Cyclohexyl-4-methylpentan-2-ol (CAS 4999-47-7) is primarily regarded as a useful organic synthesis intermediate for specialty chemicals and high-performance products; in practice it serves as a building block for chiral derivatives used in pharmaceutical R&D and related industrial chemicals; it is also evaluated as a precursor for fragrance chemistry and cosmetic applications, where its derivatives may be explored as aroma-related components; in the polymers/plastics, coatings and inks sectors it may participate in synthesis or be used as an intermediate to adjust properties of end products, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3924.32
    methanol 3242.92
    isopropanol 4599.03
    water 0.51
    ethyl acetate 2736.04
    n-propanol 4219.15
    acetone 3949.39
    n-butanol 3985.39
    acetonitrile 2612.13
    DMF 2183.29
    toluene 1207.72
    isobutanol 3520.35
    1,4-dioxane 4557.13
    methyl acetate 2250.85
    THF 8568.7
    2-butanone 3099.17
    n-pentanol 1704.45
    sec-butanol 3044.07
    n-hexane 1102.38
    ethylene glycol 288.67
    NMP 1560.4
    cyclohexane 1750.44
    DMSO 1900.69
    n-butyl acetate 2853.52
    n-octanol 1014.62
    chloroform 3692.61
    n-propyl acetate 1356.4
    acetic acid 1120.23
    dichloromethane 2721.72
    cyclohexanone 4015.59
    propylene glycol 715.0
    isopropyl acetate 1895.01
    DMAc 1058.36
    2-ethoxyethanol 1160.7
    isopentanol 2898.19
    n-heptane 908.77
    ethyl formate 1405.47
    1,2-dichloroethane 2166.42
    n-hexanol 3921.26
    2-methoxyethanol 2622.06
    isobutyl acetate 974.61
    tetrachloromethane 935.83
    n-pentyl acetate 1057.91
    transcutol 3283.19
    n-heptanol 1206.83
    ethylbenzene 527.99
    MIBK 1610.94
    2-propoxyethanol 2975.93
    tert-butanol 4996.23
    MTBE 4800.78
    2-butoxyethanol 1321.3
    propionic acid 1741.07
    o-xylene 656.34
    formic acid 250.57
    diethyl ether 4331.87
    m-xylene 895.82
    p-xylene 648.34
    chlorobenzene 1257.3
    dimethyl carbonate 458.47
    n-octane 250.2
    formamide 334.61
    cyclopentanone 4217.26
    2-pentanone 2767.24
    anisole 793.47
    cyclopentyl methyl ether 3418.69
    gamma-butyrolactone 3680.54
    1-methoxy-2-propanol 2360.73
    pyridine 2098.07
    3-pentanone 1851.66
    furfural 1666.28
    n-dodecane 129.86
    diethylene glycol 1108.43
    diisopropyl ether 1437.96
    tert-amyl alcohol 2817.99
    acetylacetone 1702.61
    n-hexadecane 151.43
    acetophenone 560.21
    methyl propionate 1770.31
    isopentyl acetate 2243.52
    trichloroethylene 2886.75
    n-nonanol 804.67
    cyclohexanol 3089.5
    benzyl alcohol 568.97
    2-ethylhexanol 1882.56
    isooctanol 902.1
    dipropyl ether 2855.93
    1,2-dichlorobenzene 857.54
    ethyl lactate 414.23
    propylene carbonate 1746.21
    n-methylformamide 1462.01
    2-pentanol 2531.79
    n-pentane 1101.18
    1-propoxy-2-propanol 2555.07
    1-methoxy-2-propyl acetate 1749.04
    2-(2-methoxypropoxy) propanol 718.02
    mesitylene 642.6
    ε-caprolactone 2668.58
    p-cymene 471.49
    epichlorohydrin 3317.69
    1,1,1-trichloroethane 2482.83
    2-aminoethanol 950.8
    morpholine-4-carbaldehyde 1753.29
    sulfolane 2641.45
    2,2,4-trimethylpentane 383.21
    2-methyltetrahydrofuran 5524.32
    n-hexyl acetate 1485.88
    isooctane 384.4
    2-(2-butoxyethoxy)ethanol 1242.34
    sec-butyl acetate 929.32
    tert-butyl acetate 1959.73
    decalin 385.55
    glycerin 604.01
    diglyme 2077.1
    acrylic acid 858.94
    isopropyl myristate 535.87
    n-butyric acid 2856.1
    acetyl acetate 1005.26
    di(2-ethylhexyl) phthalate 337.3
    ethyl propionate 1100.81
    nitromethane 1761.65
    1,2-diethoxyethane 1883.64
    benzonitrile 946.09
    trioctyl phosphate 356.61
    1-bromopropane 2454.41
    gamma-valerolactone 3643.85
    n-decanol 587.64
    triethyl phosphate 379.36
    4-methyl-2-pentanol 1422.9
    propionitrile 3047.28
    vinylene carbonate 1217.41
    1,1,2-trichlorotrifluoroethane 1332.96
    DMS 650.66
    cumene 371.5
    2-octanol 747.52
    2-hexanone 1545.55
    octyl acetate 637.83
    limonene 1031.21
    1,2-dimethoxyethane 2406.23
    ethyl orthosilicate 431.61
    tributyl phosphate 421.1
    diacetone alcohol 1610.38
    N,N-dimethylaniline 475.01
    acrylonitrile 2039.44
    aniline 1294.95
    1,3-propanediol 1520.46
    bromobenzene 1271.81
    dibromomethane 2396.4
    1,1,2,2-tetrachloroethane 2453.38
    2-methyl-cyclohexyl acetate 845.13
    tetrabutyl urea 464.32
    diisobutyl methanol 988.15
    2-phenylethanol 925.07
    styrene 597.85
    dioctyl adipate 540.69
    dimethyl sulfate 543.01
    ethyl butyrate 1469.88
    methyl lactate 593.05
    butyl lactate 714.21
    diethyl carbonate 666.53
    propanediol butyl ether 1009.17
    triethyl orthoformate 913.9
    p-tert-butyltoluene 507.88
    methyl 4-tert-butylbenzoate 632.72
    morpholine 5104.85
    tert-butylamine 4275.68
    n-dodecanol 436.18
    dimethoxymethane 2105.6
    ethylene carbonate 1319.54
    cyrene 485.55
    2-ethoxyethyl acetate 1009.18
    2-ethylhexyl acetate 1657.71
    1,2,4-trichlorobenzene 924.46
    4-methylpyridine 2231.29
    dibutyl ether 1657.28
    2,6-dimethyl-4-heptanol 988.15
    DEF 1837.1
    dimethyl isosorbide 1180.87
    tetrachloroethylene 1588.9
    eugenol 506.63
    triacetin 737.11
    span 80 805.27
    1,4-butanediol 426.88
    1,1-dichloroethane 3056.09
    2-methyl-1-pentanol 1199.36
    methyl formate 970.42
    2-methyl-1-butanol 2520.99
    n-decane 277.3
    butyronitrile 3884.41
    3,7-dimethyl-1-octanol 1021.3
    1-chlorooctane 817.63
    1-chlorotetradecane 265.73
    n-nonane 318.63
    undecane 181.89
    tert-butylcyclohexane 413.14
    cyclooctane 512.38
    cyclopentanol 3113.13
    tetrahydropyran 7255.33
    tert-amyl methyl ether 2377.05
    2,5,8-trioxanonane 1067.24
    1-hexene 2190.3
    2-isopropoxyethanol 961.16
    2,2,2-trifluoroethanol 311.2
    methyl butyrate 1479.54

    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