Ethanone, 1-(5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)-

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  • Identifiers

    CAS number
    68259-33-6

    Molecular formula
    C14H22O

    SMILES
    CC1=C2CC(C(C1)C(C2)C(=O)C)C(C)C

  • Odor profile

    Fragrance
    Woody 84.39%
    Spicy 46.46%
    Herbal 46.41%
    Dry 42.94%
    Balsamic 39.38%
    Amber 38.19%
    Vetiver 36.72%
    Cedar 35.02%
    Fresh 33.03%
    Sandalwood 32.16%

     

    Flavor
    Herbal 55.62%
    Woody 51.78%
    Minty 40.74%
    Herb 37.62%
    Floral 36.26%
    Spice 33.44%
    Wood 33.27%
    Mint 32.44%
    Spicy 30.38%
    Fresh 27.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.36 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    291°C

    Flash point

    • 105.25 ˚C est.

  • Synonyms

    • 68259-33-6
    • Ethanone, 1-(5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)-
    • EINECS 269-524-7
    • 1-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-4-enyl)ethanone
    • 7- and 8-Acetyl-5-isopropyl-2-methylbicyclo(2.2.2)oct-2-ene
    • 1-(5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)ethan-1-one
    • Ethanone, 1-[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
    • 1-[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethan-1-one
    • SCHEMBL3506515
    • DTXSID60867555
    • GNALWRWCIFZYEK-UHFFFAOYSA-N
    • NS00012722
    • Ethanone, 1-5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo2.2.2oct-5-en-2-yl-
    • 269-524-7

  • Applications

    Ethanone, 1-(5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)- (CAS 68259-33-6) may find applications as an odorant/fragrance ingredient in perfumery and cosmetics; serve as an intermediate for the synthesis of other bicyclic terpenoid derivatives in specialty chemicals; function as a processing aid or stabilizer in certain polymer, plastics, or coating formulations; act as a fragrance component in household products such as cleaners and air fresheners; and be evaluated as a building block in research programs for flavors or fragrances, under appropriate regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 142.39
    methanol 109.17
    isopropanol 163.35
    water 0.65
    ethyl acetate 235.5
    n-propanol 151.96
    acetone 275.64
    n-butanol 148.33
    acetonitrile 262.77
    DMF 284.26
    toluene 353.68
    isobutanol 122.54
    1,4-dioxane 645.25
    methyl acetate 266.44
    THF 746.45
    2-butanone 287.72
    n-pentanol 75.85
    sec-butanol 114.41
    n-hexane 12.69
    ethylene glycol 24.55
    NMP 288.19
    cyclohexane 60.98
    DMSO 152.48
    n-butyl acetate 236.75
    n-octanol 77.77
    chloroform 1338.58
    n-propyl acetate 136.14
    acetic acid 128.81
    dichloromethane 965.34
    cyclohexanone 513.17
    propylene glycol 43.29
    isopropyl acetate 151.85
    DMAc 232.94
    2-ethoxyethanol 96.12
    isopentanol 131.91
    n-heptane 17.87
    ethyl formate 176.79
    1,2-dichloroethane 423.2
    n-hexanol 155.87
    2-methoxyethanol 192.48
    isobutyl acetate 107.44
    tetrachloromethane 173.9
    n-pentyl acetate 141.16
    transcutol 433.36
    n-heptanol 83.66
    ethylbenzene 137.02
    MIBK 129.51
    2-propoxyethanol 230.4
    tert-butanol 171.17
    MTBE 145.44
    2-butoxyethanol 137.36
    propionic acid 140.25
    o-xylene 194.58
    formic acid 31.6
    diethyl ether 153.04
    m-xylene 208.12
    p-xylene 189.83
    chlorobenzene 383.98
    dimethyl carbonate 79.28
    n-octane 9.45
    formamide 63.7
    cyclopentanone 570.89
    2-pentanone 197.36
    anisole 211.51
    cyclopentyl methyl ether 228.97
    gamma-butyrolactone 535.91
    1-methoxy-2-propanol 177.97
    pyridine 618.46
    3-pentanone 158.63
    furfural 462.8
    n-dodecane 9.26
    diethylene glycol 140.73
    diisopropyl ether 54.91
    tert-amyl alcohol 105.53
    acetylacetone 236.5
    n-hexadecane 11.3
    acetophenone 194.52
    methyl propionate 166.67
    isopentyl acetate 207.08
    trichloroethylene 950.45
    n-nonanol 72.81
    cyclohexanol 188.79
    benzyl alcohol 175.1
    2-ethylhexanol 101.82
    isooctanol 70.01
    dipropyl ether 105.48
    1,2-dichlorobenzene 307.12
    ethyl lactate 71.36
    propylene carbonate 318.19
    n-methylformamide 137.59
    2-pentanol 88.79
    n-pentane 17.33
    1-propoxy-2-propanol 179.58
    1-methoxy-2-propyl acetate 215.15
    2-(2-methoxypropoxy) propanol 145.85
    mesitylene 113.03
    ε-caprolactone 392.89
    p-cymene 101.75
    epichlorohydrin 561.77
    1,1,1-trichloroethane 505.39
    2-aminoethanol 58.95
    morpholine-4-carbaldehyde 360.23
    sulfolane 346.14
    2,2,4-trimethylpentane 11.56
    2-methyltetrahydrofuran 441.65
    n-hexyl acetate 188.48
    isooctane 10.22
    2-(2-butoxyethoxy)ethanol 185.11
    sec-butyl acetate 102.97
    tert-butyl acetate 147.0
    decalin 26.06
    glycerin 59.7
    diglyme 330.24
    acrylic acid 123.58
    isopropyl myristate 84.08
    n-butyric acid 219.3
    acetyl acetate 172.57
    di(2-ethylhexyl) phthalate 97.6
    ethyl propionate 117.26
    nitromethane 263.73
    1,2-diethoxyethane 191.78
    benzonitrile 317.71
    trioctyl phosphate 63.81
    1-bromopropane 248.63
    gamma-valerolactone 621.56
    n-decanol 56.12
    triethyl phosphate 78.37
    4-methyl-2-pentanol 63.86
    propionitrile 230.98
    vinylene carbonate 333.34
    1,1,2-trichlorotrifluoroethane 263.47
    DMS 170.24
    cumene 90.49
    2-octanol 59.73
    2-hexanone 136.6
    octyl acetate 101.94
    limonene 120.82
    1,2-dimethoxyethane 223.69
    ethyl orthosilicate 71.47
    tributyl phosphate 75.51
    diacetone alcohol 149.93
    N,N-dimethylaniline 130.83
    acrylonitrile 280.22
    aniline 291.5
    1,3-propanediol 110.16
    bromobenzene 421.32
    dibromomethane 603.57
    1,1,2,2-tetrachloroethane 650.81
    2-methyl-cyclohexyl acetate 149.67
    tetrabutyl urea 92.1
    diisobutyl methanol 64.91
    2-phenylethanol 217.66
    styrene 164.42
    dioctyl adipate 113.48
    dimethyl sulfate 99.86
    ethyl butyrate 148.77
    methyl lactate 84.0
    butyl lactate 113.76
    diethyl carbonate 111.85
    propanediol butyl ether 122.65
    triethyl orthoformate 106.42
    p-tert-butyltoluene 94.19
    methyl 4-tert-butylbenzoate 161.68
    morpholine 560.4
    tert-butylamine 117.92
    n-dodecanol 44.27
    dimethoxymethane 191.77
    ethylene carbonate 267.98
    cyrene 147.73
    2-ethoxyethyl acetate 196.25
    2-ethylhexyl acetate 169.49
    1,2,4-trichlorobenzene 358.22
    4-methylpyridine 572.69
    dibutyl ether 93.38
    2,6-dimethyl-4-heptanol 64.91
    DEF 174.5
    dimethyl isosorbide 281.78
    tetrachloroethylene 393.33
    eugenol 160.81
    triacetin 178.53
    span 80 144.67
    1,4-butanediol 35.9
    1,1-dichloroethane 508.61
    2-methyl-1-pentanol 84.28
    methyl formate 128.0
    2-methyl-1-butanol 114.93
    n-decane 15.44
    butyronitrile 240.48
    3,7-dimethyl-1-octanol 83.94
    1-chlorooctane 66.23
    1-chlorotetradecane 29.27
    n-nonane 13.36
    undecane 11.58
    tert-butylcyclohexane 22.42
    cyclooctane 18.98
    cyclopentanol 193.36
    tetrahydropyran 559.69
    tert-amyl methyl ether 95.12
    2,5,8-trioxanonane 229.83
    1-hexene 59.23
    2-isopropoxyethanol 87.04
    2,2,2-trifluoroethanol 66.52
    methyl butyrate 154.03

    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