2-Methylbicyclo[3.2.1]oct-6-en-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C9H12O

    SMILES
    CC1C2CC(CC1=O)C=C2

  • Odor profile

    Woody 62.86%
    Green 57.78%
    Herbal 57.75%
    Fruity 53.08%
    Fresh 41.94%
    Mint 41.84%
    Spicy 40.75%
    Floral 30.44%
    Camphoreous 27.88%
    Natural 25.33%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    213°C

    Flash point est.
    65.15 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 280.82
    methanol 362.78
    isopropanol 187.53
    water 6.34
    ethyl acetate 280.42
    n-propanol 207.63
    acetone 285.11
    n-butanol 182.79
    acetonitrile 345.36
    DMF 294.66
    toluene 229.51
    isobutanol 138.37
    1,4-dioxane 664.88
    methyl acetate 259.23
    THF 518.76
    2-butanone 235.84
    n-pentanol 136.69
    sec-butanol 125.87
    n-hexane 25.38
    ethylene glycol 74.04
    NMP 271.07
    cyclohexane 44.84
    DMSO 273.26
    n-butyl acetate 179.23
    n-octanol 92.28
    chloroform 1225.7
    n-propyl acetate 148.01
    acetic acid 341.86
    dichloromethane 884.88
    cyclohexanone 339.56
    propylene glycol 77.59
    isopropyl acetate 175.13
    DMAc 210.79
    2-ethoxyethanol 215.53
    isopentanol 168.59
    n-heptane 20.49
    ethyl formate 169.73
    1,2-dichloroethane 416.74
    n-hexanol 168.74
    2-methoxyethanol 311.79
    isobutyl acetate 108.06
    tetrachloromethane 183.88
    n-pentyl acetate 132.6
    transcutol 1342.97
    n-heptanol 95.5
    ethylbenzene 94.53
    MIBK 154.24
    2-propoxyethanol 288.54
    tert-butanol 179.46
    MTBE 161.13
    2-butoxyethanol 189.72
    propionic acid 220.27
    o-xylene 124.59
    formic acid 173.77
    diethyl ether 248.87
    m-xylene 151.99
    p-xylene 124.05
    chlorobenzene 286.09
    dimethyl carbonate 109.64
    n-octane 9.97
    formamide 227.84
    cyclopentanone 358.46
    2-pentanone 201.42
    anisole 202.95
    cyclopentyl methyl ether 230.54
    gamma-butyrolactone 410.99
    1-methoxy-2-propanol 234.56
    pyridine 494.19
    3-pentanone 158.54
    furfural 411.96
    n-dodecane 9.17
    diethylene glycol 248.55
    diisopropyl ether 85.23
    tert-amyl alcohol 123.18
    acetylacetone 259.63
    n-hexadecane 10.58
    acetophenone 166.08
    methyl propionate 190.65
    isopentyl acetate 166.5
    trichloroethylene 805.14
    n-nonanol 84.08
    cyclohexanol 161.31
    benzyl alcohol 162.84
    2-ethylhexanol 92.35
    isooctanol 80.97
    dipropyl ether 115.44
    1,2-dichlorobenzene 242.13
    ethyl lactate 82.3
    propylene carbonate 229.56
    n-methylformamide 220.16
    2-pentanol 120.78
    n-pentane 28.16
    1-propoxy-2-propanol 188.73
    1-methoxy-2-propyl acetate 213.5
    2-(2-methoxypropoxy) propanol 204.15
    mesitylene 98.26
    ε-caprolactone 291.05
    p-cymene 61.01
    epichlorohydrin 480.21
    1,1,1-trichloroethane 406.24
    2-aminoethanol 140.07
    morpholine-4-carbaldehyde 398.68
    sulfolane 325.67
    2,2,4-trimethylpentane 17.07
    2-methyltetrahydrofuran 330.89
    n-hexyl acetate 187.84
    isooctane 18.86
    2-(2-butoxyethoxy)ethanol 307.57
    sec-butyl acetate 114.67
    tert-butyl acetate 174.92
    decalin 26.85
    glycerin 127.16
    diglyme 511.5
    acrylic acid 211.16
    isopropyl myristate 75.9
    n-butyric acid 275.8
    acetyl acetate 207.09
    di(2-ethylhexyl) phthalate 78.91
    ethyl propionate 129.1
    nitromethane 476.19
    1,2-diethoxyethane 327.58
    benzonitrile 256.31
    trioctyl phosphate 52.1
    1-bromopropane 230.49
    gamma-valerolactone 474.27
    n-decanol 61.53
    triethyl phosphate 70.17
    4-methyl-2-pentanol 94.62
    propionitrile 236.27
    vinylene carbonate 254.89
    1,1,2-trichlorotrifluoroethane 305.98
    DMS 185.52
    cumene 73.01
    2-octanol 59.75
    2-hexanone 152.18
    octyl acetate 90.34
    limonene 75.4
    1,2-dimethoxyethane 311.01
    ethyl orthosilicate 71.79
    tributyl phosphate 70.31
    diacetone alcohol 170.62
    N,N-dimethylaniline 121.33
    acrylonitrile 289.77
    aniline 253.18
    1,3-propanediol 185.98
    bromobenzene 303.33
    dibromomethane 544.51
    1,1,2,2-tetrachloroethane 550.91
    2-methyl-cyclohexyl acetate 110.18
    tetrabutyl urea 73.81
    diisobutyl methanol 66.39
    2-phenylethanol 162.76
    styrene 121.63
    dioctyl adipate 103.31
    dimethyl sulfate 129.91
    ethyl butyrate 125.51
    methyl lactate 105.19
    butyl lactate 105.69
    diethyl carbonate 95.11
    propanediol butyl ether 170.64
    triethyl orthoformate 99.24
    p-tert-butyltoluene 58.27
    methyl 4-tert-butylbenzoate 150.53
    morpholine 541.01
    tert-butylamine 129.08
    n-dodecanol 45.7
    dimethoxymethane 254.07
    ethylene carbonate 211.71
    cyrene 141.8
    2-ethoxyethyl acetate 239.76
    2-ethylhexyl acetate 124.51
    1,2,4-trichlorobenzene 269.97
    4-methylpyridine 391.38
    dibutyl ether 110.38
    2,6-dimethyl-4-heptanol 66.39
    DEF 185.69
    dimethyl isosorbide 271.95
    tetrachloroethylene 402.31
    eugenol 155.66
    triacetin 203.46
    span 80 159.4
    1,4-butanediol 80.88
    1,1-dichloroethane 476.63
    2-methyl-1-pentanol 122.23
    methyl formate 158.89
    2-methyl-1-butanol 142.57
    n-decane 15.13
    butyronitrile 227.55
    3,7-dimethyl-1-octanol 93.82
    1-chlorooctane 59.37
    1-chlorotetradecane 26.52
    n-nonane 13.88
    undecane 11.29
    tert-butylcyclohexane 25.28
    cyclooctane 19.02
    cyclopentanol 162.54
    tetrahydropyran 407.6
    tert-amyl methyl ether 108.53
    2,5,8-trioxanonane 326.46
    1-hexene 81.28
    2-isopropoxyethanol 157.38
    2,2,2-trifluoroethanol 154.47
    methyl butyrate 149.08

    Scent© AI

1 3

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

Botanical

Name CAS Botanical Proportion
Orange, sweet (Vietnam) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.1%
Lemon (Vietnam) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.03%