Cyclohexanone, 4-((3,3-dimethylbicyclo(2.2.1)hept-2-yl)methyl)-2-methyl-

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  • Identifiers

    CAS number
    68901-22-4

    Molecular formula
    C17H28O

    SMILES
    CC1CC(CCC1=O)CC2C3CCC(C3)C2(C)C

  • Odor profile

    Fragrance
    Woody 75.3%
    Amber 48.36%
    Cedar 41.64%
    Dry 41.07%
    Musk 40.03%
    Animal 36.48%
    Sandalwood 35.94%
    Balsamic 34.64%
    Fresh 34.37%
    Vetiver 31.53%

     

    Flavor
    Woody 41.24%
    Herbal 35.05%
    Herb 32.88%
    Wood 30.47%
    Spice 29.69%
    Fruity 28.48%
    Sweet 27.72%
    Fruit 27.64%
    Spicy 27.1%
    Pine 26.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.88 (weak base)

    Molecular weight
    248.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    357°C

    Flash point

    • 120.34 ˚C est.

  • Synonyms

    • 68901-22-4
    • 2-Methyl-4-(camphenyl-8)-cyclohexanone
    • Cyclohexanone, 4-((3,3-dimethylbicyclo(2.2.1)hept-2-yl)methyl)-2-methyl-
    • Cyclohexanone, 4-[(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl]-2-methyl-
    • EINECS 272-665-7
    • SCHEMBL1793773
    • TUCJTYGBRWODLS-UHFFFAOYSA-N
    • 2-methyl-4-(camphenyl-8) cyclohexanone
    • NS00012270
    • 4-((3,3-dimethylbicyclo[2.2.1]heptan-2-yl)methyl)-2-methylcyclohexan-1-one
    • Aldron

  • Applications

    Cyclohexanone, 4-((3,3-dimethylbicyclo(2.2.1)hept-2-yl)methyl)-2-methyl-, CAS 68901-22-4 is primarily used as a synthetic intermediate in the manufacture of specialty chemicals. In fragrance chemistry, the bulky norbornyl substituent provides a rigid, bulky building block that can be incorporated into fragrance compounds, contributing to molecular design and scent profiles. In polymers and plastics, it serves as an intermediate to access derivative monomers or resin components used in coatings, adhesives, and related materials. The ketone functionality enables further functionalization to form resins or crosslinked systems, and in pharmaceutical synthesis it may act as a scaffold or intermediate for more complex molecules. Overall, it is a specialized chemical feedstock in industrial manufacturing, with use governed by formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4535.88
    methanol 3346.64
    isopropanol 5521.24
    water 10.07
    ethyl acetate 7035.29
    n-propanol 3443.2
    acetone 7033.86
    n-butanol 3576.38
    acetonitrile 5298.41
    DMF 3655.81
    toluene 2733.38
    isobutanol 2488.49
    1,4-dioxane 9672.34
    methyl acetate 4290.72
    THF 8741.4
    2-butanone 3834.38
    n-pentanol 1001.58
    sec-butanol 1732.26
    n-hexane 178.86
    ethylene glycol 395.27
    NMP 647.59
    cyclohexane 563.35
    DMSO 1395.87
    n-butyl acetate 2973.73
    n-octanol 497.31
    chloroform 6904.32
    n-propyl acetate 2488.83
    acetic acid 1926.47
    dichloromethane 4932.7
    cyclohexanone 3252.51
    propylene glycol 592.85
    isopropyl acetate 5716.01
    DMAc 1790.25
    2-ethoxyethanol 2474.84
    isopentanol 2938.62
    n-heptane 107.96
    ethyl formate 2745.18
    1,2-dichloroethane 3450.5
    n-hexanol 1578.26
    2-methoxyethanol 5150.14
    isobutyl acetate 1848.11
    tetrachloromethane 1273.03
    n-pentyl acetate 1298.12
    transcutol 8689.06
    n-heptanol 631.52
    ethylbenzene 953.98
    MIBK 2814.04
    2-propoxyethanol 3877.86
    tert-butanol 4615.55
    MTBE 6313.52
    2-butoxyethanol 1623.03
    propionic acid 1442.46
    o-xylene 1193.69
    formic acid 528.27
    diethyl ether 6867.32
    m-xylene 1719.74
    p-xylene 1329.7
    chlorobenzene 2331.1
    dimethyl carbonate 1492.57
    n-octane 56.33
    formamide 1253.83
    cyclopentanone 3251.03
    2-pentanone 3968.39
    anisole 2455.32
    cyclopentyl methyl ether 2622.04
    gamma-butyrolactone 3367.81
    1-methoxy-2-propanol 4326.32
    pyridine 4423.72
    3-pentanone 2295.41
    furfural 2864.81
    n-dodecane 41.87
    diethylene glycol 2185.05
    diisopropyl ether 2052.83
    tert-amyl alcohol 1673.03
    acetylacetone 4971.48
    n-hexadecane 50.86
    acetophenone 1455.55
    methyl propionate 3175.86
    isopentyl acetate 2852.28
    trichloroethylene 5302.05
    n-nonanol 472.33
    cyclohexanol 1628.63
    benzyl alcohol 1286.11
    2-ethylhexanol 684.32
    isooctanol 562.08
    dipropyl ether 1511.75
    1,2-dichlorobenzene 1624.75
    ethyl lactate 772.05
    propylene carbonate 2273.0
    n-methylformamide 2262.32
    2-pentanol 2012.06
    n-pentane 314.07
    1-propoxy-2-propanol 2510.4
    1-methoxy-2-propyl acetate 3587.89
    2-(2-methoxypropoxy) propanol 1263.87
    mesitylene 1121.14
    ε-caprolactone 2859.91
    p-cymene 458.41
    epichlorohydrin 4607.25
    1,1,1-trichloroethane 4146.41
    2-aminoethanol 1119.02
    morpholine-4-carbaldehyde 2662.48
    sulfolane 1301.96
    2,2,4-trimethylpentane 123.6
    2-methyltetrahydrofuran 4190.95
    n-hexyl acetate 1566.27
    isooctane 188.71
    2-(2-butoxyethoxy)ethanol 2061.25
    sec-butyl acetate 2261.37
    tert-butyl acetate 4605.88
    decalin 174.57
    glycerin 738.81
    diglyme 4559.85
    acrylic acid 934.77
    isopropyl myristate 602.68
    n-butyric acid 3771.37
    acetyl acetate 3897.66
    di(2-ethylhexyl) phthalate 405.15
    ethyl propionate 2334.18
    nitromethane 4250.42
    1,2-diethoxyethane 4116.18
    benzonitrile 2075.3
    trioctyl phosphate 286.45
    1-bromopropane 2219.55
    gamma-valerolactone 5104.07
    n-decanol 330.81
    triethyl phosphate 524.11
    4-methyl-2-pentanol 1456.73
    propionitrile 3663.23
    vinylene carbonate 2382.66
    1,1,2-trichlorotrifluoroethane 1938.74
    DMS 1542.34
    cumene 622.79
    2-octanol 391.87
    2-hexanone 1564.37
    octyl acetate 626.4
    limonene 515.97
    1,2-dimethoxyethane 5017.42
    ethyl orthosilicate 580.43
    tributyl phosphate 395.14
    diacetone alcohol 2621.42
    N,N-dimethylaniline 1014.29
    acrylonitrile 3374.72
    aniline 2608.35
    1,3-propanediol 2871.94
    bromobenzene 2400.29
    dibromomethane 3083.39
    1,1,2,2-tetrachloroethane 3893.56
    2-methyl-cyclohexyl acetate 881.28
    tetrabutyl urea 374.19
    diisobutyl methanol 637.58
    2-phenylethanol 1479.16
    styrene 1241.23
    dioctyl adipate 672.06
    dimethyl sulfate 968.14
    ethyl butyrate 1955.96
    methyl lactate 1076.51
    butyl lactate 847.58
    diethyl carbonate 1240.46
    propanediol butyl ether 1081.4
    triethyl orthoformate 1208.69
    p-tert-butyltoluene 510.39
    methyl 4-tert-butylbenzoate 1045.82
    morpholine 8073.18
    tert-butylamine 2990.94
    n-dodecanol 240.93
    dimethoxymethane 5187.14
    ethylene carbonate 2585.22
    cyrene 592.29
    2-ethoxyethyl acetate 2389.46
    2-ethylhexyl acetate 1679.11
    1,2,4-trichlorobenzene 1647.6
    4-methylpyridine 4416.28
    dibutyl ether 1155.28
    2,6-dimethyl-4-heptanol 637.58
    DEF 2367.84
    dimethyl isosorbide 1700.42
    tetrachloroethylene 2572.88
    eugenol 934.48
    triacetin 1396.29
    span 80 831.92
    1,4-butanediol 580.9
    1,1-dichloroethane 4881.42
    2-methyl-1-pentanol 828.13
    methyl formate 1683.13
    2-methyl-1-butanol 1622.58
    n-decane 79.63
    butyronitrile 4460.26
    3,7-dimethyl-1-octanol 703.35
    1-chlorooctane 351.43
    1-chlorotetradecane 128.75
    n-nonane 75.62
    undecane 54.89
    tert-butylcyclohexane 165.69
    cyclooctane 179.97
    cyclopentanol 1378.87
    tetrahydropyran 7140.28
    tert-amyl methyl ether 1997.28
    2,5,8-trioxanonane 2197.86
    1-hexene 695.39
    2-isopropoxyethanol 1688.47
    2,2,2-trifluoroethanol 887.84
    methyl butyrate 2532.5

    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