1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-hexen-3-one

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  • Identifiers

    CAS number
    70092-19-2

    Molecular formula
    C15H24O

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

  • Odor profile

    Woody 83.74%
    Floral 77.82%
    Fruity 72.96%
    Sweet 64.55%
    Violet 61.09%
    Berry 60.65%
    Orris 53.55%
    Powdery 50.88%
    Tobacco 49.39%
    Raspberry 45.17%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    279°C

    Flash point est.
    128.08 ˚C

  • Synonyms

    • DTXSID401221457
    • 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-hexen-3-one
    • 70092-19-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2076.18
    methanol 1520.39
    isopropanol 1559.86
    water 0.25
    ethyl acetate 3159.36
    n-propanol 1592.39
    acetone 3018.6
    n-butanol 1708.68
    acetonitrile 1671.43
    DMF 2773.88
    toluene 1952.05
    isobutanol 1245.76
    1,4-dioxane 3433.77
    methyl acetate 1704.88
    THF 5296.98
    2-butanone 2294.84
    n-pentanol 775.7
    sec-butanol 1147.75
    n-hexane 271.58
    ethylene glycol 99.31
    NMP 2186.18
    cyclohexane 683.9
    DMSO 1215.35
    n-butyl acetate 2300.15
    n-octanol 403.04
    chloroform 4336.18
    n-propyl acetate 1118.48
    acetic acid 976.53
    dichloromethane 4075.15
    cyclohexanone 3388.7
    propylene glycol 227.51
    isopropyl acetate 2054.9
    DMAc 1780.47
    2-ethoxyethanol 815.49
    isopentanol 1509.95
    n-heptane 150.29
    ethyl formate 1020.98
    1,2-dichloroethane 2968.1
    n-hexanol 1505.36
    2-methoxyethanol 1815.72
    isobutyl acetate 802.48
    tetrachloromethane 593.98
    n-pentyl acetate 909.51
    transcutol 5596.68
    n-heptanol 430.83
    ethylbenzene 574.12
    MIBK 1459.11
    2-propoxyethanol 2067.58
    tert-butanol 1706.39
    MTBE 2855.93
    2-butoxyethanol 777.56
    propionic acid 755.88
    o-xylene 704.32
    formic acid 217.8
    diethyl ether 3689.82
    m-xylene 1097.82
    p-xylene 660.03
    chlorobenzene 1848.2
    dimethyl carbonate 675.16
    n-octane 47.66
    formamide 408.14
    cyclopentanone 3192.95
    2-pentanone 2675.1
    anisole 1088.5
    cyclopentyl methyl ether 2970.07
    gamma-butyrolactone 2750.81
    1-methoxy-2-propanol 1585.9
    pyridine 2511.98
    3-pentanone 1643.72
    furfural 1807.82
    n-dodecane 32.3
    diethylene glycol 811.39
    diisopropyl ether 1057.82
    tert-amyl alcohol 1207.71
    acetylacetone 2166.76
    n-hexadecane 40.37
    acetophenone 748.66
    methyl propionate 1973.66
    isopentyl acetate 2019.73
    trichloroethylene 4719.34
    n-nonanol 355.39
    cyclohexanol 1622.32
    benzyl alcohol 643.52
    2-ethylhexanol 752.03
    isooctanol 350.98
    dipropyl ether 1260.17
    1,2-dichlorobenzene 1379.66
    ethyl lactate 334.57
    propylene carbonate 1469.83
    n-methylformamide 1035.83
    2-pentanol 1213.39
    n-pentane 316.86
    1-propoxy-2-propanol 1426.95
    1-methoxy-2-propyl acetate 2058.33
    2-(2-methoxypropoxy) propanol 794.08
    mesitylene 620.41
    ε-caprolactone 2495.65
    p-cymene 349.43
    epichlorohydrin 3756.36
    1,1,1-trichloroethane 2572.06
    2-aminoethanol 366.43
    morpholine-4-carbaldehyde 2276.48
    sulfolane 2161.77
    2,2,4-trimethylpentane 139.03
    2-methyltetrahydrofuran 4337.43
    n-hexyl acetate 1346.18
    isooctane 129.99
    2-(2-butoxyethoxy)ethanol 1219.0
    sec-butyl acetate 923.98
    tert-butyl acetate 1943.75
    decalin 204.35
    glycerin 274.83
    diglyme 2217.06
    acrylic acid 516.81
    isopropyl myristate 411.11
    n-butyric acid 1694.08
    acetyl acetate 1394.88
    di(2-ethylhexyl) phthalate 344.0
    ethyl propionate 1042.92
    nitromethane 1675.7
    1,2-diethoxyethane 2352.02
    benzonitrile 1105.36
    trioctyl phosphate 239.82
    1-bromopropane 2138.38
    gamma-valerolactone 3579.24
    n-decanol 244.66
    triethyl phosphate 357.25
    4-methyl-2-pentanol 672.35
    propionitrile 1407.36
    vinylene carbonate 1255.18
    1,1,2-trichlorotrifluoroethane 1408.54
    DMS 963.22
    cumene 347.0
    2-octanol 283.07
    2-hexanone 1058.73
    octyl acetate 508.64
    limonene 621.16
    1,2-dimethoxyethane 1759.08
    ethyl orthosilicate 395.19
    tributyl phosphate 359.58
    diacetone alcohol 1254.12
    N,N-dimethylaniline 616.82
    acrylonitrile 1265.84
    aniline 1518.83
    1,3-propanediol 749.73
    bromobenzene 2166.48
    dibromomethane 2801.94
    1,1,2,2-tetrachloroethane 3416.02
    2-methyl-cyclohexyl acetate 759.81
    tetrabutyl urea 397.82
    diisobutyl methanol 386.95
    2-phenylethanol 936.04
    styrene 764.08
    dioctyl adipate 542.9
    dimethyl sulfate 711.78
    ethyl butyrate 1123.26
    methyl lactate 462.66
    butyl lactate 526.94
    diethyl carbonate 608.08
    propanediol butyl ether 608.32
    triethyl orthoformate 700.43
    p-tert-butyltoluene 364.85
    methyl 4-tert-butylbenzoate 654.63
    morpholine 4334.16
    tert-butylamine 1279.3
    n-dodecanol 171.31
    dimethoxymethane 2586.23
    ethylene carbonate 1208.82
    cyrene 519.47
    2-ethoxyethyl acetate 1393.98
    2-ethylhexyl acetate 1521.55
    1,2,4-trichlorobenzene 1431.93
    4-methylpyridine 3206.95
    dibutyl ether 856.61
    2,6-dimethyl-4-heptanol 386.95
    DEF 2501.29
    dimethyl isosorbide 1447.77
    tetrachloroethylene 1993.29
    eugenol 568.7
    triacetin 849.17
    span 80 664.34
    1,4-butanediol 181.56
    1,1-dichloroethane 2974.6
    2-methyl-1-pentanol 759.74
    methyl formate 701.21
    2-methyl-1-butanol 1302.61
    n-decane 65.48
    butyronitrile 1876.14
    3,7-dimethyl-1-octanol 498.33
    1-chlorooctane 383.7
    1-chlorotetradecane 126.17
    n-nonane 64.76
    undecane 44.58
    tert-butylcyclohexane 173.43
    cyclooctane 197.76
    cyclopentanol 1222.07
    tetrahydropyran 4993.99
    tert-amyl methyl ether 1572.63
    2,5,8-trioxanonane 1230.64
    1-hexene 896.64
    2-isopropoxyethanol 640.98
    2,2,2-trifluoroethanol 269.61
    methyl butyrate 1280.95

    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