Ethanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-

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  • Identifiers

    CAS number
    42370-07-0

    Molecular formula
    C11H18O

    SMILES
    CC(=O)C1C2CCC(C2)C1(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 88.21%
    Herbal 69.39%
    Camphoreous 62.29%
    Pine 56.9%
    Mint 53.13%
    Cedar 48.05%
    Balsamic 45.53%
    Sweet 44.37%
    Earthy 40.89%
    Dry 40.68%

     

    Flavor
    Sweet 63.44%
    Woody 60.69%
    Herbal 41.43%
    Fruity 38.14%
    Minty 36.77%
    Camphor 36.75%
    Pine 35.5%
    Mint 31.31%
    Dry 31.3%
    Tropical 29.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.57 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    221°C

    Flash point

    • 72.27 ˚C est.

  • Synonyms

    • 42370-07-0
    • 1-(3,3-Dimethylbicyclo[2.2.1]hept-2-yl)ethan-1-one
    • 2-Acetyl-3,3-dimethylnorbomane
    • 1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
    • EINECS 255-779-1
    • DTXSID5052094
    • 2-acetyl-3,3-dimethylnorbornane
    • 1-(3,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethan-1-one
    • Ethanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-2-yl)-
    • Ethanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-
    • herbal ethanone
    • SCHEMBL453690
    • 2-ACETYL-3,3-DIMETHYLBICYCLO(2.2.1)HEPTANE
    • DTXCID0030661
    • AKOS024262878
    • 1-(3,3-Dimethyl-2-norbornyl)-ethanon
    • DB-237874
    • NS00012267
    • Ketone, 3,3-dimethyl-2-norbornyl methyl, endo-
    • 1-(3,3-Dimethylbicyclo[2.2.1]hept-2-yl)ethanone #
    • 1-(6,6-Dimethyl-5-bicyclo[2.2.1]heptanyl)ethanone
    • Ethanone, 1-(3,3-dimethylbicyclo2.2.1hept-2-yl)-
    • Ethanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-, endo-
    • 255-779-1

  • Applications

    CAS 42370-07-0, Ethanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)- is typically used as a specialty aroma-chemical in fragrance chemistry, where the bulky norbornyl acetyl moiety can act as a fragrance intermediate and influence note development; it may be used in cosmetics/personal care formulations as a fragrance ingredient; in household products such as cleaners and air fresheners for scent enhancement; in industrial manufacturing as an intermediate in the synthesis of other specialty chemicals; and as a precursor for chiral building blocks used in polymers/plastics and related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2571.84
    methanol 3809.06
    isopropanol 2226.01
    water 49.19
    ethyl acetate 2262.12
    n-propanol 2205.25
    acetone 2979.53
    n-butanol 1822.81
    acetonitrile 4245.6
    DMF 2208.4
    toluene 1814.09
    isobutanol 1656.43
    1,4-dioxane 4882.11
    methyl acetate 2385.85
    THF 6106.69
    2-butanone 2057.81
    n-pentanol 885.57
    sec-butanol 1469.43
    n-hexane 322.89
    ethylene glycol 663.81
    NMP 1641.38
    cyclohexane 695.04
    DMSO 1452.12
    n-butyl acetate 1175.75
    n-octanol 643.6
    chloroform 6740.45
    n-propyl acetate 958.52
    acetic acid 1976.62
    dichloromethane 4947.53
    cyclohexanone 2727.59
    propylene glycol 725.55
    isopropyl acetate 1537.79
    DMAc 1074.17
    2-ethoxyethanol 1225.8
    isopentanol 1414.43
    n-heptane 214.18
    ethyl formate 1535.24
    1,2-dichloroethane 2768.25
    n-hexanol 1398.32
    2-methoxyethanol 2545.48
    isobutyl acetate 666.92
    tetrachloromethane 1487.22
    n-pentyl acetate 745.01
    transcutol 2554.22
    n-heptanol 638.97
    ethylbenzene 668.32
    MIBK 1192.48
    2-propoxyethanol 2074.96
    tert-butanol 2001.55
    MTBE 1978.21
    2-butoxyethanol 1009.21
    propionic acid 1630.9
    o-xylene 838.74
    formic acid 1071.67
    diethyl ether 2448.37
    m-xylene 1204.95
    p-xylene 852.25
    chlorobenzene 1890.85
    dimethyl carbonate 797.48
    n-octane 103.05
    formamide 1221.76
    cyclopentanone 3014.05
    2-pentanone 1845.44
    anisole 1177.66
    cyclopentyl methyl ether 2636.51
    gamma-butyrolactone 3641.72
    1-methoxy-2-propanol 1765.44
    pyridine 2907.43
    3-pentanone 1261.0
    furfural 2384.67
    n-dodecane 75.52
    diethylene glycol 1414.27
    diisopropyl ether 866.2
    tert-amyl alcohol 1143.93
    acetylacetone 1723.12
    n-hexadecane 87.71
    acetophenone 751.79
    methyl propionate 1567.0
    isopentyl acetate 1004.81
    trichloroethylene 4469.78
    n-nonanol 505.35
    cyclohexanol 1799.43
    benzyl alcohol 819.79
    2-ethylhexanol 634.23
    isooctanol 483.19
    dipropyl ether 810.95
    1,2-dichlorobenzene 1345.18
    ethyl lactate 396.33
    propylene carbonate 1677.28
    n-methylformamide 2198.6
    2-pentanol 1222.19
    n-pentane 421.29
    1-propoxy-2-propanol 1135.74
    1-methoxy-2-propyl acetate 1174.11
    2-(2-methoxypropoxy) propanol 598.29
    mesitylene 735.38
    ε-caprolactone 2216.43
    p-cymene 350.32
    epichlorohydrin 3971.07
    1,1,1-trichloroethane 3229.99
    2-aminoethanol 1119.94
    morpholine-4-carbaldehyde 2090.36
    sulfolane 2260.98
    2,2,4-trimethylpentane 158.73
    2-methyltetrahydrofuran 3601.37
    n-hexyl acetate 1076.55
    isooctane 175.6
    2-(2-butoxyethoxy)ethanol 960.1
    sec-butyl acetate 704.25
    tert-butyl acetate 1314.53
    decalin 230.07
    glycerin 863.5
    diglyme 1765.01
    acrylic acid 1357.67
    isopropyl myristate 350.7
    n-butyric acid 1959.3
    acetyl acetate 1340.22
    di(2-ethylhexyl) phthalate 288.29
    ethyl propionate 856.02
    nitromethane 3471.03
    1,2-diethoxyethane 1102.6
    benzonitrile 1519.77
    trioctyl phosphate 234.35
    1-bromopropane 2027.99
    gamma-valerolactone 3511.95
    n-decanol 338.96
    triethyl phosphate 274.36
    4-methyl-2-pentanol 708.53
    propionitrile 2921.48
    vinylene carbonate 1628.21
    1,1,2-trichlorotrifluoroethane 1600.93
    DMS 820.4
    cumene 423.47
    2-octanol 449.8
    2-hexanone 899.27
    octyl acetate 433.38
    limonene 487.67
    1,2-dimethoxyethane 1898.68
    ethyl orthosilicate 287.41
    tributyl phosphate 274.63
    diacetone alcohol 1098.16
    N,N-dimethylaniline 592.85
    acrylonitrile 3034.76
    aniline 1630.35
    1,3-propanediol 1522.44
    bromobenzene 1929.25
    dibromomethane 3323.27
    1,1,2,2-tetrachloroethane 3007.87
    2-methyl-cyclohexyl acetate 497.29
    tetrabutyl urea 299.55
    diisobutyl methanol 360.07
    2-phenylethanol 1036.52
    styrene 817.3
    dioctyl adipate 369.69
    dimethyl sulfate 805.95
    ethyl butyrate 701.04
    methyl lactate 629.39
    butyl lactate 461.61
    diethyl carbonate 428.36
    propanediol butyl ether 739.34
    triethyl orthoformate 445.83
    p-tert-butyltoluene 356.36
    methyl 4-tert-butylbenzoate 642.81
    morpholine 4493.59
    tert-butylamine 1396.46
    n-dodecanol 250.67
    dimethoxymethane 2116.99
    ethylene carbonate 1545.36
    cyrene 489.97
    2-ethoxyethyl acetate 949.7
    2-ethylhexyl acetate 709.21
    1,2,4-trichlorobenzene 1401.75
    4-methylpyridine 2675.17
    dibutyl ether 638.16
    2,6-dimethyl-4-heptanol 360.07
    DEF 1248.1
    dimethyl isosorbide 967.62
    tetrachloroethylene 2272.99
    eugenol 585.25
    triacetin 653.93
    span 80 540.55
    1,4-butanediol 523.33
    1,1-dichloroethane 3634.49
    2-methyl-1-pentanol 648.35
    methyl formate 1847.13
    2-methyl-1-butanol 1238.43
    n-decane 138.73
    butyronitrile 2555.85
    3,7-dimethyl-1-octanol 524.52
    1-chlorooctane 473.02
    1-chlorotetradecane 165.85
    n-nonane 144.79
    undecane 98.46
    tert-butylcyclohexane 207.14
    cyclooctane 258.79
    cyclopentanol 1831.91
    tetrahydropyran 4235.47
    tert-amyl methyl ether 1038.47
    2,5,8-trioxanonane 960.91
    1-hexene 790.0
    2-isopropoxyethanol 846.76
    2,2,2-trifluoroethanol 982.81
    methyl butyrate 985.71

    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