4-Cyclohexylcyclohexanone

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  • Identifiers

    CAS number
    92-68-2

    Molecular formula
    C12H20O

    SMILES
    C1CCC(CC1)C2CCC(=O)CC2

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Woody 70.88%
    Floral 70.5%
    Musk 52.24%
    Fresh 49.09%
    Animal 45.4%
    Amber 41.49%
    Clean 39.53%
    Ozone 39.4%
    Orris 39.31%
    Natural 39.05%

     

    Flavor
    Fruity 32.33%
    Animal 30.5%
    Minty 22.51%
    Shrimp 22.42%
    Alkaline 22.36%
    Beet 21.08%
    Soil 20.93%
    Plant 20.5%
    Terpentine 20.34%
    Cauliflower 19.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.91 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    279°C

    Flash point

    • 108.16 ˚C est.

  • Synonyms

    • 4-Cyclohexylcyclohexanone
    • 92-68-2
    • [1,1'-Bi(cyclohexan)]-4-one
    • 4-cyclohexylcyclohexan-1-one
    • [1,1'-Bicyclohexyl]-4-one
    • C 66
    • 4-cyclohexyl cyclohexanone
    • CYCLOHEXYLCYCLOHEXANONE
    • (1,1'-Bicyclohexyl)-4-one
    • 56025-96-8
    • 6SLH0OPI94
    • DTXSID8040721
    • NSC-22250
    • NSC-33962
    • (1,1'-Bicyclohexyl)one
    • bicyclohexyl-4-one
    • EINECS 202-178-7
    • EINECS 259-950-1
    • NSC 22250
    • 4,4'-bicyclohexanon
    • C-66
    • AI3-04093
    • AI3-26971
    • UNII-6SLH0OPI94
    • SCHEMBL510703
    • CHEMBL1866959
    • DTXCID6020721
    • AAA09268
    • NSC22250
    • NSC33962
    • Tox21_301879
    • CYCLOHEXANONE, 4-CYCLOHEXYL-
    • MFCD00019468
    • AKOS006271461
    • CAS-92-68-2
    • NCGC00164227-01
    • NCGC00164227-02
    • NCGC00255565-01
    • SY163253
    • CS-0237293
    • NS00039481
    • EN300-181700
    • F20581
    • Q27265449
    • Z1198147648

  • Applications

    4-Cyclohexylcyclohexanone (CAS 92-68-2) is a cyclohexanone derivative bearing a para cyclohexyl substituent; in practice it is used mainly as an intermediate in organic synthesis, commonly employed in the manufacture of pharmaceuticals and agrochemicals. It also serves as a building block for materials in the polymers/plastics sector, and is often used as a precursor for fragrance/odorant components in perfumery. Additionally, the compound can function as an intermediate for coatings and inks in the coatings/inks industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 931.45
    methanol 955.79
    isopropanol 926.23
    water 0.11
    ethyl acetate 3575.83
    n-propanol 999.67
    acetone 5172.23
    n-butanol 829.2
    acetonitrile 2843.58
    DMF 3696.31
    toluene 1981.32
    isobutanol 694.59
    1,4-dioxane 3910.97
    methyl acetate 2921.68
    THF 5795.96
    2-butanone 3701.24
    n-pentanol 427.52
    sec-butanol 715.34
    n-hexane 179.06
    ethylene glycol 164.27
    NMP 2841.09
    cyclohexane 386.5
    DMSO 5344.57
    n-butyl acetate 1872.87
    n-octanol 287.58
    chloroform 7319.83
    n-propyl acetate 1667.0
    acetic acid 1094.62
    dichloromethane 7198.03
    cyclohexanone 4366.88
    propylene glycol 288.56
    isopropyl acetate 2012.29
    DMAc 1884.15
    2-ethoxyethanol 890.41
    isopentanol 778.82
    n-heptane 87.96
    ethyl formate 1491.65
    1,2-dichloroethane 5288.81
    n-hexanol 544.18
    2-methoxyethanol 2024.07
    isobutyl acetate 868.9
    tetrachloromethane 1114.31
    n-pentyl acetate 1058.85
    transcutol 7916.98
    n-heptanol 254.19
    ethylbenzene 655.89
    MIBK 1279.45
    2-propoxyethanol 1252.93
    tert-butanol 1140.27
    MTBE 1918.44
    2-butoxyethanol 721.02
    propionic acid 1358.55
    o-xylene 902.56
    formic acid 260.32
    diethyl ether 2375.38
    m-xylene 1003.55
    p-xylene 763.07
    chlorobenzene 2532.68
    dimethyl carbonate 923.07
    n-octane 29.82
    formamide 753.3
    cyclopentanone 5929.94
    2-pentanone 2824.73
    anisole 1528.32
    cyclopentyl methyl ether 2656.53
    gamma-butyrolactone 6027.23
    1-methoxy-2-propanol 1614.85
    pyridine 4109.04
    3-pentanone 2419.89
    furfural 4265.12
    n-dodecane 20.38
    diethylene glycol 776.81
    diisopropyl ether 685.91
    tert-amyl alcohol 771.98
    acetylacetone 3487.37
    n-hexadecane 26.51
    acetophenone 1228.54
    methyl propionate 2451.45
    isopentyl acetate 1496.22
    trichloroethylene 8817.54
    n-nonanol 254.52
    cyclohexanol 1093.67
    benzyl alcohol 845.48
    2-ethylhexanol 401.76
    isooctanol 250.07
    dipropyl ether 948.67
    1,2-dichlorobenzene 2113.45
    ethyl lactate 440.89
    propylene carbonate 2627.51
    n-methylformamide 2073.11
    2-pentanol 607.14
    n-pentane 137.57
    1-propoxy-2-propanol 1067.39
    1-methoxy-2-propyl acetate 1838.28
    2-(2-methoxypropoxy) propanol 870.5
    mesitylene 601.49
    ε-caprolactone 3275.55
    p-cymene 326.4
    epichlorohydrin 6206.33
    1,1,1-trichloroethane 4588.68
    2-aminoethanol 429.77
    morpholine-4-carbaldehyde 3086.97
    sulfolane 6401.25
    2,2,4-trimethylpentane 72.75
    2-methyltetrahydrofuran 3843.42
    n-hexyl acetate 1375.51
    isooctane 66.92
    2-(2-butoxyethoxy)ethanol 1362.37
    sec-butyl acetate 1051.25
    tert-butyl acetate 1948.4
    decalin 158.23
    glycerin 440.93
    diglyme 3010.78
    acrylic acid 1065.37
    isopropyl myristate 451.98
    n-butyric acid 2003.55
    acetyl acetate 1871.35
    di(2-ethylhexyl) phthalate 361.17
    ethyl propionate 1567.59
    nitromethane 3947.76
    1,2-diethoxyethane 2591.75
    benzonitrile 1736.11
    trioctyl phosphate 236.47
    1-bromopropane 2200.04
    gamma-valerolactone 5553.48
    n-decanol 180.65
    triethyl phosphate 424.48
    4-methyl-2-pentanol 368.8
    propionitrile 2158.54
    vinylene carbonate 2187.47
    1,1,2-trichlorotrifluoroethane 2736.23
    DMS 1300.22
    cumene 362.16
    2-octanol 207.14
    2-hexanone 1514.45
    octyl acetate 516.4
    limonene 490.6
    1,2-dimethoxyethane 2321.43
    ethyl orthosilicate 414.18
    tributyl phosphate 401.28
    diacetone alcohol 1526.71
    N,N-dimethylaniline 682.44
    acrylonitrile 2664.61
    aniline 2024.1
    1,3-propanediol 769.54
    bromobenzene 2999.23
    dibromomethane 4457.94
    1,1,2,2-tetrachloroethane 6515.84
    2-methyl-cyclohexyl acetate 695.24
    tetrabutyl urea 442.61
    diisobutyl methanol 300.83
    2-phenylethanol 722.72
    styrene 1013.2
    dioctyl adipate 667.11
    dimethyl sulfate 1491.42
    ethyl butyrate 1181.22
    methyl lactate 777.11
    butyl lactate 730.09
    diethyl carbonate 732.3
    propanediol butyl ether 677.7
    triethyl orthoformate 751.04
    p-tert-butyltoluene 329.63
    methyl 4-tert-butylbenzoate 862.48
    morpholine 4067.31
    tert-butylamine 712.32
    n-dodecanol 130.41
    dimethoxymethane 2357.09
    ethylene carbonate 1942.9
    cyrene 622.66
    2-ethoxyethyl acetate 1763.16
    2-ethylhexyl acetate 1118.83
    1,2,4-trichlorobenzene 2442.21
    4-methylpyridine 3609.56
    dibutyl ether 909.78
    2,6-dimethyl-4-heptanol 300.83
    DEF 2501.42
    dimethyl isosorbide 1634.28
    tetrachloroethylene 3931.99
    eugenol 698.58
    triacetin 1338.42
    span 80 687.95
    1,4-butanediol 208.34
    1,1-dichloroethane 4504.45
    2-methyl-1-pentanol 439.39
    methyl formate 1458.3
    2-methyl-1-butanol 659.22
    n-decane 42.42
    butyronitrile 1746.55
    3,7-dimethyl-1-octanol 416.71
    1-chlorooctane 318.53
    1-chlorotetradecane 97.74
    n-nonane 42.77
    undecane 27.7
    tert-butylcyclohexane 124.76
    cyclooctane 131.58
    cyclopentanol 1302.04
    tetrahydropyran 4022.08
    tert-amyl methyl ether 1072.18
    2,5,8-trioxanonane 1598.08
    1-hexene 596.97
    2-isopropoxyethanol 640.66
    2,2,2-trifluoroethanol 475.05
    methyl butyrate 1994.42

    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