Ethanone, 1-[1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-

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  • Identifiers

    CAS number
    69882-09-3

    Molecular formula
    C14H22O

    SMILES
    CC(C)C12CCC(C=C1)(C(C2)C(=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.7%
    Dry 47.64%
    Amber 46.0%
    Cedar 43.73%
    Herbal 43.42%
    Spicy 41.12%
    Vetiver 40.33%
    Balsamic 39.38%
    Orris 36.7%
    Sandalwood 35.84%

     

    Flavor
    Woody 65.02%
    Herbal 41.13%
    Wood 38.43%
    Minty 33.6%
    Sweet 32.6%
    Herb 32.01%
    Spice 29.85%
    Mint 29.68%
    Fruity 28.44%
    Camphor 28.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.12 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 116.51 ˚C est.

  • Synonyms

    • EINECS 274-184-8
    • 69882-09-3
    • 1-(1(or 4)-Methyl-4(or 1)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)ethanone
    • Ethanone, 1-(1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)-
    • 1-Methyl-4-isopropyl-2(3)-acetylbicyclo(2.2.2)oct-5-ene
    • Ethanone, 1-[1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
    • 1-[1(or 4)-Methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethanone
    • RefChem:592398
    • Ethanone, 1-1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo2.2.2oct-5-en-2-yl-
    • SCHEMBL3505326
    • FPUZVGQCOIRCIA-UHFFFAOYSA-N
    • NS00121390
    • 1-(1(Or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)ethan-1-one
    • 69882-09-3

  • Applications

    Chemical name: Ethanone, 1-[1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-; CAS number: 69882-09-3 is primarily used as a chemical building block and intermediate in fine chemicals and fragrance-related synthesis. In perfumery and cosmetics, it is commonly evaluated as a fragrance ingredient or odor precursor to create bicyclic terpenoid scent profiles. It may also serve as an intermediate in the synthesis of related terpenoid derivatives for pharmaceutical research and development. In industrial manufacturing, it can function as a specialized intermediate for the preparation of complex bicyclic compounds. Depending on formulation and local regulations, it may be used in coatings/inks or as a fragrance intermediate for food-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.35
    methanol 63.22
    isopropanol 66.78
    water 0.62
    ethyl acetate 137.7
    n-propanol 70.73
    acetone 149.15
    n-butanol 65.31
    acetonitrile 148.95
    DMF 268.27
    toluene 260.65
    isobutanol 58.91
    1,4-dioxane 395.28
    methyl acetate 164.94
    THF 475.35
    2-butanone 167.98
    n-pentanol 37.61
    sec-butanol 53.03
    n-hexane 9.87
    ethylene glycol 14.71
    NMP 277.44
    cyclohexane 49.36
    DMSO 102.09
    n-butyl acetate 131.44
    n-octanol 52.03
    chloroform 666.98
    n-propyl acetate 82.51
    acetic acid 58.57
    dichloromethane 473.24
    cyclohexanone 315.55
    propylene glycol 25.22
    isopropyl acetate 99.15
    DMAc 215.96
    2-ethoxyethanol 50.9
    isopentanol 57.1
    n-heptane 15.45
    ethyl formate 92.99
    1,2-dichloroethane 214.54
    n-hexanol 95.71
    2-methoxyethanol 107.08
    isobutyl acetate 69.87
    tetrachloromethane 97.4
    n-pentyl acetate 86.76
    transcutol 273.41
    n-heptanol 54.79
    ethylbenzene 106.59
    MIBK 87.44
    2-propoxyethanol 143.31
    tert-butanol 81.68
    MTBE 86.17
    2-butoxyethanol 86.5
    propionic acid 70.65
    o-xylene 156.15
    formic acid 19.35
    diethyl ether 87.46
    m-xylene 170.69
    p-xylene 151.13
    chlorobenzene 249.02
    dimethyl carbonate 74.32
    n-octane 7.26
    formamide 44.63
    cyclopentanone 374.68
    2-pentanone 114.49
    anisole 160.44
    cyclopentyl methyl ether 175.44
    gamma-butyrolactone 349.25
    1-methoxy-2-propanol 108.69
    pyridine 345.09
    3-pentanone 112.93
    furfural 285.76
    n-dodecane 7.43
    diethylene glycol 84.97
    diisopropyl ether 40.08
    tert-amyl alcohol 58.74
    acetylacetone 154.18
    n-hexadecane 8.96
    acetophenone 142.43
    methyl propionate 128.66
    isopentyl acetate 130.86
    trichloroethylene 486.42
    n-nonanol 51.28
    cyclohexanol 99.44
    benzyl alcohol 107.34
    2-ethylhexanol 69.15
    isooctanol 46.69
    dipropyl ether 74.58
    1,2-dichlorobenzene 220.52
    ethyl lactate 50.46
    propylene carbonate 206.81
    n-methylformamide 100.61
    2-pentanol 42.99
    n-pentane 12.92
    1-propoxy-2-propanol 117.87
    1-methoxy-2-propyl acetate 161.94
    2-(2-methoxypropoxy) propanol 110.92
    mesitylene 101.09
    ε-caprolactone 237.82
    p-cymene 79.4
    epichlorohydrin 330.2
    1,1,1-trichloroethane 274.79
    2-aminoethanol 34.91
    morpholine-4-carbaldehyde 302.06
    sulfolane 258.37
    2,2,4-trimethylpentane 9.23
    2-methyltetrahydrofuran 273.03
    n-hexyl acetate 128.95
    isooctane 8.83
    2-(2-butoxyethoxy)ethanol 127.38
    sec-butyl acetate 71.92
    tert-butyl acetate 108.99
    decalin 24.51
    glycerin 34.93
    diglyme 222.74
    acrylic acid 65.01
    isopropyl myristate 62.01
    n-butyric acid 100.35
    acetyl acetate 115.5
    di(2-ethylhexyl) phthalate 71.68
    ethyl propionate 88.52
    nitromethane 150.46
    1,2-diethoxyethane 118.91
    benzonitrile 197.54
    trioctyl phosphate 48.36
    1-bromopropane 139.21
    gamma-valerolactone 398.72
    n-decanol 40.02
    triethyl phosphate 63.81
    4-methyl-2-pentanol 38.42
    propionitrile 142.12
    vinylene carbonate 222.92
    1,1,2-trichlorotrifluoroethane 155.14
    DMS 139.73
    cumene 74.18
    2-octanol 37.38
    2-hexanone 85.45
    octyl acetate 75.38
    limonene 94.73
    1,2-dimethoxyethane 137.46
    ethyl orthosilicate 61.12
    tributyl phosphate 56.11
    diacetone alcohol 104.79
    N,N-dimethylaniline 108.64
    acrylonitrile 170.7
    aniline 183.45
    1,3-propanediol 52.17
    bromobenzene 289.14
    dibromomethane 301.43
    1,1,2,2-tetrachloroethane 347.75
    2-methyl-cyclohexyl acetate 113.33
    tetrabutyl urea 70.93
    diisobutyl methanol 46.78
    2-phenylethanol 149.3
    styrene 125.58
    dioctyl adipate 84.95
    dimethyl sulfate 100.16
    ethyl butyrate 104.56
    methyl lactate 63.09
    butyl lactate 76.39
    diethyl carbonate 83.48
    propanediol butyl ether 81.65
    triethyl orthoformate 79.72
    p-tert-butyltoluene 78.46
    methyl 4-tert-butylbenzoate 132.15
    morpholine 344.26
    tert-butylamine 61.32
    n-dodecanol 32.08
    dimethoxymethane 163.9
    ethylene carbonate 172.78
    cyrene 115.35
    2-ethoxyethyl acetate 127.26
    2-ethylhexyl acetate 112.79
    1,2,4-trichlorobenzene 250.56
    4-methylpyridine 343.11
    dibutyl ether 58.18
    2,6-dimethyl-4-heptanol 46.78
    DEF 127.72
    dimethyl isosorbide 240.96
    tetrachloroethylene 214.18
    eugenol 121.32
    triacetin 136.09
    span 80 106.41
    1,4-butanediol 17.84
    1,1-dichloroethane 253.59
    2-methyl-1-pentanol 44.23
    methyl formate 87.05
    2-methyl-1-butanol 54.07
    n-decane 11.66
    butyronitrile 131.16
    3,7-dimethyl-1-octanol 58.13
    1-chlorooctane 46.25
    1-chlorotetradecane 22.21
    n-nonane 9.87
    undecane 9.12
    tert-butylcyclohexane 19.69
    cyclooctane 17.77
    cyclopentanol 108.27
    tetrahydropyran 311.36
    tert-amyl methyl ether 64.1
    2,5,8-trioxanonane 163.37
    1-hexene 35.95
    2-isopropoxyethanol 47.3
    2,2,2-trifluoroethanol 39.09
    methyl butyrate 101.76

    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