1-(3,3-Dimethylbicyclo(2.2.1)hept-5-en-2-yl)ethan-1-one

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  • Identifiers

    CAS number
    42370-06-9

    Molecular formula
    C11H16O

    SMILES
    CC(=O)C1C2CC(C1(C)C)C=C2

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.97%
    Herbal 65.67%
    Camphoreous 45.87%
    Fruity 45.03%
    Pine 44.67%
    Mint 43.17%
    Sweet 43.0%
    Floral 42.85%
    Cedar 42.35%
    Green 41.18%

     

    Flavor
    Sweet 43.73%
    Woody 42.74%
    Fruity 39.31%
    Minty 36.51%
    Floral 30.91%
    Herbal 30.88%
    Mint 29.73%
    Fresh 26.57%
    Tropical 26.56%
    Wood 25.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.06 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    213°C

    Flash point

    • 73.73 ˚C est.

  • Synonyms

    • EINECS 255-778-6
    • Ethanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)-
    • DTXSID70885866
    • 1-(3,3-Dimethylbicyclo(2.2.1)hept-5-en-2-yl)ethan-1-one
    • Ethanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-
    • 1-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-5-EN-2-YL)ETHAN-1-ONE
    • RefChem:422733
    • DTXCID401025225
    • 255-778-6
    • 42370-06-9
    • SCHEMBL3192520
    • 2-Acetyl-3,3-dimethylnorborn-5-en
    • 2-acetyl-3,3-dimethyl-5-norbornene
    • NS00012266
    • 42370-06-9

  • Applications

    1-(3,3-Dimethylbicyclo(2.2.1)hept-5-en-2-yl)ethan-1-one (CAS 42370-06-9) is viewed as a useful intermediate in organic synthesis, providing a platform for developing complex molecules for pharmaceutical and agrochemical applications. In fragrance and cosmetics, it can function as a fragrance ingredient or fixative for perfumes and personal care products, and may also appear in household and cleaning products to impart scent. Its norbornene-derived framework makes it a potential monomer or crosslinking agent for ROMP-based polymers and for specialty coatings or inks. In research and development, the compound may serve as a precursor for stereoselective reactions and for chiral catalysts, supporting the design of chiral catalysts or derived sequences in organic synthesis. Application scope is subject to regulatory constraints and formulation limits in each sector and locale.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1046.13
    methanol 1455.23
    isopropanol 883.29
    water 30.53
    ethyl acetate 1004.96
    n-propanol 900.99
    acetone 1219.38
    n-butanol 772.43
    acetonitrile 1645.77
    DMF 1090.15
    toluene 988.58
    isobutanol 665.26
    1,4-dioxane 2307.31
    methyl acetate 1058.16
    THF 2868.95
    2-butanone 935.47
    n-pentanol 457.54
    sec-butanol 671.53
    n-hexane 221.37
    ethylene glycol 333.2
    NMP 1055.74
    cyclohexane 395.48
    DMSO 738.66
    n-butyl acetate 520.04
    n-octanol 362.8
    chloroform 2853.81
    n-propyl acetate 457.59
    acetic acid 879.41
    dichloromethane 2104.13
    cyclohexanone 1262.8
    propylene glycol 355.33
    isopropyl acetate 690.38
    DMAc 637.1
    2-ethoxyethanol 653.25
    isopentanol 617.16
    n-heptane 141.81
    ethyl formate 610.83
    1,2-dichloroethane 1215.46
    n-hexanol 729.07
    2-methoxyethanol 1185.78
    isobutyl acetate 332.13
    tetrachloromethane 693.52
    n-pentyl acetate 371.83
    transcutol 1360.75
    n-heptanol 362.51
    ethylbenzene 400.21
    MIBK 591.56
    2-propoxyethanol 1090.44
    tert-butanol 822.34
    MTBE 861.28
    2-butoxyethanol 560.42
    propionic acid 740.26
    o-xylene 495.05
    formic acid 489.38
    diethyl ether 1137.82
    m-xylene 716.13
    p-xylene 481.49
    chlorobenzene 870.21
    dimethyl carbonate 436.31
    n-octane 66.48
    formamide 580.95
    cyclopentanone 1509.83
    2-pentanone 888.32
    anisole 660.24
    cyclopentyl methyl ether 1374.74
    gamma-butyrolactone 1758.05
    1-methoxy-2-propanol 912.86
    pyridine 1257.56
    3-pentanone 659.06
    furfural 1129.6
    n-dodecane 52.34
    diethylene glycol 773.65
    diisopropyl ether 432.5
    tert-amyl alcohol 567.21
    acetylacetone 845.91
    n-hexadecane 59.88
    acetophenone 436.7
    methyl propionate 778.7
    isopentyl acetate 459.02
    trichloroethylene 1919.86
    n-nonanol 294.78
    cyclohexanol 859.23
    benzyl alcohol 437.45
    2-ethylhexanol 355.86
    isooctanol 280.68
    dipropyl ether 427.65
    1,2-dichlorobenzene 690.35
    ethyl lactate 240.88
    propylene carbonate 799.73
    n-methylformamide 906.48
    2-pentanol 592.72
    n-pentane 258.4
    1-propoxy-2-propanol 618.6
    1-methoxy-2-propyl acetate 603.77
    2-(2-methoxypropoxy) propanol 381.64
    mesitylene 434.73
    ε-caprolactone 1062.04
    p-cymene 208.88
    epichlorohydrin 1759.26
    1,1,1-trichloroethane 1432.64
    2-aminoethanol 528.26
    morpholine-4-carbaldehyde 1173.93
    sulfolane 1223.15
    2,2,4-trimethylpentane 105.31
    2-methyltetrahydrofuran 1744.65
    n-hexyl acetate 578.54
    isooctane 107.97
    2-(2-butoxyethoxy)ethanol 570.85
    sec-butyl acetate 364.96
    tert-butyl acetate 638.8
    decalin 160.98
    glycerin 470.14
    diglyme 992.21
    acrylic acid 651.22
    isopropyl myristate 215.41
    n-butyric acid 839.0
    acetyl acetate 636.18
    di(2-ethylhexyl) phthalate 184.95
    ethyl propionate 457.5
    nitromethane 1416.13
    1,2-diethoxyethane 549.2
    benzonitrile 680.57
    trioctyl phosphate 152.47
    1-bromopropane 977.59
    gamma-valerolactone 1685.68
    n-decanol 213.24
    triethyl phosphate 169.69
    4-methyl-2-pentanol 359.91
    propionitrile 1072.84
    vinylene carbonate 779.33
    1,1,2-trichlorotrifluoroethane 816.11
    DMS 487.42
    cumene 260.2
    2-octanol 253.49
    2-hexanone 486.12
    octyl acetate 260.99
    limonene 288.34
    1,2-dimethoxyethane 911.65
    ethyl orthosilicate 177.74
    tributyl phosphate 166.2
    diacetone alcohol 588.07
    N,N-dimethylaniline 378.6
    acrylonitrile 1152.6
    aniline 792.54
    1,3-propanediol 695.0
    bromobenzene 945.72
    dibromomethane 1471.28
    1,1,2,2-tetrachloroethane 1437.12
    2-methyl-cyclohexyl acetate 290.0
    tetrabutyl urea 194.74
    diisobutyl methanol 206.95
    2-phenylethanol 542.59
    styrene 448.61
    dioctyl adipate 235.89
    dimethyl sulfate 513.28
    ethyl butyrate 347.5
    methyl lactate 384.07
    butyl lactate 256.41
    diethyl carbonate 233.96
    propanediol butyl ether 431.74
    triethyl orthoformate 244.37
    p-tert-butyltoluene 216.49
    methyl 4-tert-butylbenzoate 407.71
    morpholine 2021.6
    tert-butylamine 607.58
    n-dodecanol 163.16
    dimethoxymethane 1012.51
    ethylene carbonate 702.62
    cyrene 335.13
    2-ethoxyethyl acetate 492.31
    2-ethylhexyl acetate 350.09
    1,2,4-trichlorobenzene 739.08
    4-methylpyridine 1217.26
    dibutyl ether 340.24
    2,6-dimethyl-4-heptanol 206.95
    DEF 663.37
    dimethyl isosorbide 575.0
    tetrachloroethylene 1006.02
    eugenol 364.98
    triacetin 398.91
    span 80 355.19
    1,4-butanediol 268.32
    1,1-dichloroethane 1597.94
    2-methyl-1-pentanol 353.59
    methyl formate 769.09
    2-methyl-1-butanol 585.94
    n-decane 88.68
    butyronitrile 968.13
    3,7-dimethyl-1-octanol 296.95
    1-chlorooctane 275.24
    1-chlorotetradecane 113.1
    n-nonane 92.72
    undecane 65.79
    tert-butylcyclohexane 143.35
    cyclooctane 166.22
    cyclopentanol 878.97
    tetrahydropyran 1891.92
    tert-amyl methyl ether 557.75
    2,5,8-trioxanonane 578.55
    1-hexene 452.3
    2-isopropoxyethanol 470.26
    2,2,2-trifluoroethanol 473.3
    methyl butyrate 495.02

    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