Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-

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  • Identifiers

    CAS number
    3608-11-5

    Molecular formula
    C12H18O

    SMILES
    CC1=CC2C(C2(C)C)CC1C(=O)C

  • Odor profile

    Fragrance
    Woody 87.62%
    Herbal 64.14%
    Camphoreous 49.63%
    Pine 45.14%
    Cedar 44.97%
    Spicy 44.58%
    Dry 42.52%
    Mint 41.77%
    Amber 39.36%
    Sweet 38.71%

     

    Flavor
    Woody 44.29%
    Minty 39.45%
    Sweet 33.27%
    Fresh 28.51%
    Herbal 28.21%
    Wood 27.87%
    Fruity 27.7%
    Floral 27.54%
    Mint 27.2%
    Camphor 26.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.79 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    234°C

    Flash point

    • 91.86 ˚C est.

  • Synonyms

    • Acetylcarene
    • 3608-11-5
    • 4-Acetyl-2-carene
    • Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-yl)-
    • Car-2-en-4-yl methyl ketone
    • DTXSID00863218
    • EINECS 222-771-4
    • 3,7,7-Trimethyl-4-acetylbicyclo(4.1.0)hept-2-ene
    • Ethanone, 1-(4,7,7-trimethylbicyclo(4.1.0)hept-4-en-3-yl)-
    • ACETYL CARENE
    • 4-ACETYL CARENE
    • herbal carene
    • EINECS 263-574-3
    • 2-Carene, 4-acetyl-
    • (+)-4-acetyl-2-carene
    • 1-(3,7,7-Trimethylbicyclo(4.1.0)heptenyl)ethanone
    • SCHEMBL11234448
    • DTXCID40811874
    • Ethanone, 1-(3,7,7-trimethylbicyclo(4.1.0)heptenyl)-
    • AKOS006271629
    • NS00012076
    • 1-(4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-yl)ethanone
    • 1-(4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-yl)ethanone #
    • Ethanone, 1-(4,7,7-trimethylbicyclo4.1.0hept-4-en-3-yl)-
    • 222-771-4

  • Applications

    Ethanone, 1-(4,7,7-trimethylbicyclo[4.1.0]h ept-4-en-3-yl)- (CAS 3608-11-5) is a bulky bicyclic ketone used primarily as a specialized building block in fragrance chemistry. In practice, it is commonly evaluated as an intermediate for the synthesis of terpene-derived fragrance ingredients and may function as a fixative or distinctive aroma note in perfumery and cosmetics, with potential applications in household cleaners and air-care products. It can also serve as a chiral starting material for the preparation of other specialty chemicals in industrial manufacturing, including applications in polymers and coatings formulations. Depending on regulatory constraints, it may appear in flavor/fragrance development research or be used as a synthetic intermediate in broader chemical syntheses for various consumer and industrial products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 216.61
    methanol 169.76
    isopropanol 238.8
    water 1.41
    ethyl acetate 269.7
    n-propanol 204.0
    acetone 327.69
    n-butanol 190.1
    acetonitrile 282.31
    DMF 302.07
    toluene 237.34
    isobutanol 170.21
    1,4-dioxane 541.31
    methyl acetate 310.99
    THF 711.59
    2-butanone 303.93
    n-pentanol 120.9
    sec-butanol 180.11
    n-hexane 24.68
    ethylene glycol 58.71
    NMP 250.09
    cyclohexane 57.32
    DMSO 168.09
    n-butyl acetate 201.23
    n-octanol 110.04
    chloroform 731.57
    n-propyl acetate 155.37
    acetic acid 140.96
    dichloromethane 559.41
    cyclohexanone 347.26
    propylene glycol 106.39
    isopropyl acetate 194.65
    DMAc 265.92
    2-ethoxyethanol 165.48
    isopentanol 171.74
    n-heptane 27.54
    ethyl formate 152.41
    1,2-dichloroethane 274.37
    n-hexanol 197.8
    2-methoxyethanol 274.84
    isobutyl acetate 124.21
    tetrachloromethane 123.13
    n-pentyl acetate 134.24
    transcutol 453.78
    n-heptanol 105.29
    ethylbenzene 132.04
    MIBK 178.58
    2-propoxyethanol 313.77
    tert-butanol 245.14
    MTBE 252.78
    2-butoxyethanol 169.49
    propionic acid 154.87
    o-xylene 155.13
    formic acid 48.84
    diethyl ether 229.11
    m-xylene 178.52
    p-xylene 177.54
    chlorobenzene 231.66
    dimethyl carbonate 117.57
    n-octane 14.51
    formamide 86.84
    cyclopentanone 432.11
    2-pentanone 233.46
    anisole 231.36
    cyclopentyl methyl ether 260.26
    gamma-butyrolactone 410.47
    1-methoxy-2-propanol 264.78
    pyridine 339.59
    3-pentanone 191.0
    furfural 302.14
    n-dodecane 14.39
    diethylene glycol 226.9
    diisopropyl ether 97.28
    tert-amyl alcohol 178.23
    acetylacetone 261.54
    n-hexadecane 16.65
    acetophenone 187.53
    methyl propionate 217.23
    isopentyl acetate 208.09
    trichloroethylene 515.23
    n-nonanol 98.99
    cyclohexanol 185.02
    benzyl alcohol 167.16
    2-ethylhexanol 120.25
    isooctanol 88.0
    dipropyl ether 124.87
    1,2-dichlorobenzene 203.76
    ethyl lactate 96.25
    propylene carbonate 237.71
    n-methylformamide 149.18
    2-pentanol 152.04
    n-pentane 32.38
    1-propoxy-2-propanol 225.51
    1-methoxy-2-propyl acetate 246.34
    2-(2-methoxypropoxy) propanol 183.22
    mesitylene 112.41
    ε-caprolactone 300.36
    p-cymene 91.81
    epichlorohydrin 452.25
    1,1,1-trichloroethane 347.89
    2-aminoethanol 112.51
    morpholine-4-carbaldehyde 329.58
    sulfolane 295.63
    2,2,4-trimethylpentane 22.43
    2-methyltetrahydrofuran 426.93
    n-hexyl acetate 209.01
    isooctane 22.13
    2-(2-butoxyethoxy)ethanol 223.01
    sec-butyl acetate 132.55
    tert-butyl acetate 199.52
    decalin 35.39
    glycerin 115.24
    diglyme 346.11
    acrylic acid 130.75
    isopropyl myristate 93.89
    n-butyric acid 190.54
    acetyl acetate 187.56
    di(2-ethylhexyl) phthalate 93.57
    ethyl propionate 150.08
    nitromethane 267.65
    1,2-diethoxyethane 194.66
    benzonitrile 230.92
    trioctyl phosphate 69.2
    1-bromopropane 208.37
    gamma-valerolactone 450.32
    n-decanol 76.79
    triethyl phosphate 82.13
    4-methyl-2-pentanol 111.05
    propionitrile 226.52
    vinylene carbonate 229.28
    1,1,2-trichlorotrifluoroethane 255.01
    DMS 194.04
    cumene 93.32
    2-octanol 79.17
    2-hexanone 169.32
    octyl acetate 112.88
    limonene 108.78
    1,2-dimethoxyethane 277.0
    ethyl orthosilicate 80.72
    tributyl phosphate 78.5
    diacetone alcohol 205.32
    N,N-dimethylaniline 140.54
    acrylonitrile 238.24
    aniline 209.42
    1,3-propanediol 161.93
    bromobenzene 246.26
    dibromomethane 375.55
    1,1,2,2-tetrachloroethane 390.57
    2-methyl-cyclohexyl acetate 148.64
    tetrabutyl urea 90.76
    diisobutyl methanol 82.6
    2-phenylethanol 207.88
    styrene 140.03
    dioctyl adipate 111.15
    dimethyl sulfate 134.67
    ethyl butyrate 152.4
    methyl lactate 124.77
    butyl lactate 118.56
    diethyl carbonate 116.05
    propanediol butyl ether 160.84
    triethyl orthoformate 112.59
    p-tert-butyltoluene 94.08
    methyl 4-tert-butylbenzoate 161.34
    morpholine 487.37
    tert-butylamine 170.65
    n-dodecanol 60.8
    dimethoxymethane 260.24
    ethylene carbonate 198.18
    cyrene 164.77
    2-ethoxyethyl acetate 193.98
    2-ethylhexyl acetate 158.29
    1,2,4-trichlorobenzene 241.46
    4-methylpyridine 353.76
    dibutyl ether 107.55
    2,6-dimethyl-4-heptanol 82.6
    DEF 186.85
    dimethyl isosorbide 282.56
    tetrachloroethylene 244.13
    eugenol 151.94
    triacetin 188.04
    span 80 160.53
    1,4-butanediol 72.7
    1,1-dichloroethane 368.62
    2-methyl-1-pentanol 121.8
    methyl formate 133.01
    2-methyl-1-butanol 152.6
    n-decane 22.8
    butyronitrile 228.78
    3,7-dimethyl-1-octanol 115.61
    1-chlorooctane 78.52
    1-chlorotetradecane 36.32
    n-nonane 20.45
    undecane 17.68
    tert-butylcyclohexane 34.06
    cyclooctane 23.58
    cyclopentanol 216.29
    tetrahydropyran 425.52
    tert-amyl methyl ether 163.04
    2,5,8-trioxanonane 242.09
    1-hexene 79.21
    2-isopropoxyethanol 142.94
    2,2,2-trifluoroethanol 84.69
    methyl butyrate 169.28

    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