1-(2,2-Dimethyl-6-methylenecyclohexyl)-1-penten-3-one

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  • Identifiers

    Molecular formula
    C14H22O

    SMILES
    CCC(=O)C=CC1C(=C)CCCC1(C)C

  • Odor profile

    Woody 83.64%
    Floral 66.83%
    Violet 56.25%
    Orris 52.14%
    Fruity 46.92%
    Sweet 44.52%
    Powdery 44.2%
    Dry 41.68%
    Berry 40.43%
    Tobacco 39.64%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.57 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point est.
    119.83 ˚C

  • Synonyms

    • VBPVRSYPVFNWFV-UHFFFAOYSA-N
    • DTXSID601214749
    • DB-300348
    • NS00053281
    • 1-(2,2-Dimethyl-6-methylenecyclohexyl)-1-penten-3-one
    • 5-(2-methylene-6,6-dimethylcyclohex-1-yl)pent-4-en-3-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4325.67
    methanol 3405.64
    isopropanol 3844.22
    water 0.55
    ethyl acetate 5635.6
    n-propanol 3585.55
    acetone 4518.91
    n-butanol 3729.64
    acetonitrile 2656.93
    DMF 5151.85
    toluene 3009.26
    isobutanol 2777.99
    1,4-dioxane 6181.91
    methyl acetate 2780.53
    THF 9069.27
    2-butanone 3686.95
    n-pentanol 1500.82
    sec-butanol 2647.7
    n-hexane 328.63
    ethylene glycol 225.78
    NMP 3003.85
    cyclohexane 869.17
    DMSO 1819.81
    n-butyl acetate 3252.78
    n-octanol 542.8
    chloroform 6980.26
    n-propyl acetate 1788.04
    acetic acid 1743.15
    dichloromethane 6113.07
    cyclohexanone 4824.34
    propylene glycol 497.87
    isopropyl acetate 3830.74
    DMAc 3043.42
    2-ethoxyethanol 1591.63
    isopentanol 3072.07
    n-heptane 167.48
    ethyl formate 1960.39
    1,2-dichloroethane 4545.68
    n-hexanol 2483.52
    2-methoxyethanol 3899.69
    isobutyl acetate 1180.94
    tetrachloromethane 988.11
    n-pentyl acetate 1248.08
    transcutol 9235.99
    n-heptanol 625.45
    ethylbenzene 872.84
    MIBK 2476.04
    2-propoxyethanol 3512.5
    tert-butanol 3814.7
    MTBE 5782.36
    2-butoxyethanol 1211.62
    propionic acid 1361.14
    o-xylene 1042.95
    formic acid 500.3
    diethyl ether 6945.24
    m-xylene 1701.62
    p-xylene 964.29
    chlorobenzene 2657.86
    dimethyl carbonate 1162.22
    n-octane 48.26
    formamide 969.25
    cyclopentanone 4621.2
    2-pentanone 4562.56
    anisole 1813.8
    cyclopentyl methyl ether 4878.91
    gamma-butyrolactone 4350.33
    1-methoxy-2-propanol 3447.11
    pyridine 4271.67
    3-pentanone 2625.22
    furfural 2900.28
    n-dodecane 28.83
    diethylene glycol 1538.73
    diisopropyl ether 1782.93
    tert-amyl alcohol 2633.31
    acetylacetone 3608.43
    n-hexadecane 36.15
    acetophenone 1136.21
    methyl propionate 3360.85
    isopentyl acetate 2998.14
    trichloroethylene 7295.26
    n-nonanol 476.54
    cyclohexanol 2869.58
    benzyl alcohol 1051.61
    2-ethylhexanol 1126.46
    isooctanol 501.33
    dipropyl ether 1967.92
    1,2-dichlorobenzene 1937.01
    ethyl lactate 522.85
    propylene carbonate 2419.48
    n-methylformamide 2160.78
    2-pentanol 2589.96
    n-pentane 470.34
    1-propoxy-2-propanol 2440.87
    1-methoxy-2-propyl acetate 3416.23
    2-(2-methoxypropoxy) propanol 1191.3
    mesitylene 894.83
    ε-caprolactone 3838.89
    p-cymene 459.87
    epichlorohydrin 6052.2
    1,1,1-trichloroethane 3949.23
    2-aminoethanol 866.54
    morpholine-4-carbaldehyde 3753.22
    sulfolane 2798.04
    2,2,4-trimethylpentane 198.78
    2-methyltetrahydrofuran 7457.88
    n-hexyl acetate 1805.42
    isooctane 191.92
    2-(2-butoxyethoxy)ethanol 1930.75
    sec-butyl acetate 1493.99
    tert-butyl acetate 3517.26
    decalin 247.76
    glycerin 564.6
    diglyme 3561.82
    acrylic acid 893.62
    isopropyl myristate 522.2
    n-butyric acid 3239.44
    acetyl acetate 2304.15
    di(2-ethylhexyl) phthalate 433.58
    ethyl propionate 1701.42
    nitromethane 2933.05
    1,2-diethoxyethane 3758.35
    benzonitrile 1672.11
    trioctyl phosphate 298.78
    1-bromopropane 3306.61
    gamma-valerolactone 5830.57
    n-decanol 321.52
    triethyl phosphate 507.89
    4-methyl-2-pentanol 1271.02
    propionitrile 2576.2
    vinylene carbonate 2088.13
    1,1,2-trichlorotrifluoroethane 2312.29
    DMS 1338.24
    cumene 497.66
    2-octanol 402.52
    2-hexanone 1722.28
    octyl acetate 628.03
    limonene 801.73
    1,2-dimethoxyethane 3229.85
    ethyl orthosilicate 583.05
    tributyl phosphate 483.51
    diacetone alcohol 2394.68
    N,N-dimethylaniline 981.62
    acrylonitrile 2240.76
    aniline 2603.68
    1,3-propanediol 1736.99
    bromobenzene 2997.03
    dibromomethane 4095.93
    1,1,2,2-tetrachloroethane 5169.02
    2-methyl-cyclohexyl acetate 1053.66
    tetrabutyl urea 527.17
    diisobutyl methanol 597.44
    2-phenylethanol 1489.01
    styrene 1190.9
    dioctyl adipate 692.01
    dimethyl sulfate 1095.87
    ethyl butyrate 1675.63
    methyl lactate 865.72
    butyl lactate 791.02
    diethyl carbonate 940.02
    propanediol butyl ether 983.31
    triethyl orthoformate 1083.31
    p-tert-butyltoluene 506.83
    methyl 4-tert-butylbenzoate 928.07
    morpholine 8440.79
    tert-butylamine 2786.12
    n-dodecanol 214.93
    dimethoxymethane 4718.4
    ethylene carbonate 2078.54
    cyrene 750.67
    2-ethoxyethyl acetate 2006.21
    2-ethylhexyl acetate 2172.36
    1,2,4-trichlorobenzene 2059.09
    4-methylpyridine 5431.81
    dibutyl ether 1186.93
    2,6-dimethyl-4-heptanol 597.44
    DEF 4484.61
    dimethyl isosorbide 2164.76
    tetrachloroethylene 3129.1
    eugenol 816.76
    triacetin 1157.79
    span 80 912.78
    1,4-butanediol 386.14
    1,1-dichloroethane 4913.71
    2-methyl-1-pentanol 1373.86
    methyl formate 1424.1
    2-methyl-1-butanol 2638.83
    n-decane 63.07
    butyronitrile 3481.84
    3,7-dimethyl-1-octanol 713.19
    1-chlorooctane 431.24
    1-chlorotetradecane 126.42
    n-nonane 61.09
    undecane 40.97
    tert-butylcyclohexane 221.64
    cyclooctane 238.78
    cyclopentanol 2144.84
    tetrahydropyran 9047.2
    tert-amyl methyl ether 2965.79
    2,5,8-trioxanonane 1980.2
    1-hexene 1345.57
    2-isopropoxyethanol 1131.74
    2,2,2-trifluoroethanol 489.41
    methyl butyrate 2111.29

    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