1-(2,6,6-Trimethylcyclohex-2-enyl)hepta-1,6-dien-3-one

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  • Identifiers

    Molecular formula
    C16H24O

    SMILES
    CC1=CCCC(C1C=CC(=O)CCC=C)(C)C

  • Odor profile

    Fruity 85.64%
    Floral 72.63%
    Woody 68.88%
    Sweet 67.8%
    Green 65.3%
    Tropical 52.36%
    Berry 50.17%
    Pineapple 46.8%
    Waxy 46.55%
    Rose 39.62%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    232.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    292°C

    Flash point est.
    139.0 ˚C

  • Synonyms

    • Allyl ionone
    • 1-(2,6,6-trimethylcyclohex-2-enyl)hepta-1,6-dien-3-one
    • FXCYGAGBPZQRJE-UHFFFAOYSA-N
    • DB-353833
    • NS00011942

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 709.48
    methanol 435.08
    isopropanol 464.32
    water 0.06
    ethyl acetate 1201.06
    n-propanol 535.7
    acetone 691.32
    n-butanol 569.32
    acetonitrile 334.29
    DMF 699.83
    toluene 844.93
    isobutanol 375.23
    1,4-dioxane 1235.3
    methyl acetate 585.5
    THF 2080.95
    2-butanone 813.9
    n-pentanol 288.68
    sec-butanol 390.47
    n-hexane 67.19
    ethylene glycol 22.88
    NMP 597.23
    cyclohexane 166.07
    DMSO 318.46
    n-butyl acetate 845.32
    n-octanol 129.51
    chloroform 1578.52
    n-propyl acetate 433.32
    acetic acid 211.4
    dichloromethane 1440.8
    cyclohexanone 1075.29
    propylene glycol 64.87
    isopropyl acetate 780.54
    DMAc 686.04
    2-ethoxyethanol 336.39
    isopentanol 494.72
    n-heptane 45.22
    ethyl formate 319.04
    1,2-dichloroethane 1007.23
    n-hexanol 522.25
    2-methoxyethanol 657.41
    isobutyl acetate 337.75
    tetrachloromethane 153.78
    n-pentyl acetate 310.03
    transcutol 2715.12
    n-heptanol 138.13
    ethylbenzene 263.84
    MIBK 541.46
    2-propoxyethanol 779.3
    tert-butanol 472.5
    MTBE 958.36
    2-butoxyethanol 286.81
    propionic acid 193.42
    o-xylene 312.53
    formic acid 49.27
    diethyl ether 1356.53
    m-xylene 485.78
    p-xylene 288.88
    chlorobenzene 648.64
    dimethyl carbonate 212.18
    n-octane 14.51
    formamide 95.81
    cyclopentanone 952.38
    2-pentanone 944.58
    anisole 495.77
    cyclopentyl methyl ether 1097.35
    gamma-butyrolactone 859.77
    1-methoxy-2-propanol 597.46
    pyridine 893.64
    3-pentanone 621.71
    furfural 618.06
    n-dodecane 11.36
    diethylene glycol 308.82
    diisopropyl ether 371.64
    tert-amyl alcohol 388.79
    acetylacetone 769.89
    n-hexadecane 13.69
    acetophenone 350.27
    methyl propionate 701.01
    isopentyl acetate 744.21
    trichloroethylene 1565.66
    n-nonanol 127.08
    cyclohexanol 463.97
    benzyl alcohol 276.14
    2-ethylhexanol 294.2
    isooctanol 121.22
    dipropyl ether 478.32
    1,2-dichlorobenzene 518.61
    ethyl lactate 139.38
    propylene carbonate 478.93
    n-methylformamide 238.74
    2-pentanol 408.36
    n-pentane 80.84
    1-propoxy-2-propanol 582.52
    1-methoxy-2-propyl acetate 861.41
    2-(2-methoxypropoxy) propanol 387.86
    mesitylene 260.76
    ε-caprolactone 845.01
    p-cymene 157.73
    epichlorohydrin 1408.99
    1,1,1-trichloroethane 797.42
    2-aminoethanol 107.74
    morpholine-4-carbaldehyde 771.97
    sulfolane 635.54
    2,2,4-trimethylpentane 45.77
    2-methyltetrahydrofuran 1579.72
    n-hexyl acetate 466.82
    isooctane 43.48
    2-(2-butoxyethoxy)ethanol 567.3
    sec-butyl acetate 415.58
    tert-butyl acetate 730.19
    decalin 69.9
    glycerin 80.13
    diglyme 1005.06
    acrylic acid 121.28
    isopropyl myristate 175.37
    n-butyric acid 494.55
    acetyl acetate 487.27
    di(2-ethylhexyl) phthalate 156.41
    ethyl propionate 417.15
    nitromethane 384.48
    1,2-diethoxyethane 1050.35
    benzonitrile 380.83
    trioctyl phosphate 98.6
    1-bromopropane 789.64
    gamma-valerolactone 1169.34
    n-decanol 92.91
    triethyl phosphate 170.18
    4-methyl-2-pentanol 245.27
    propionitrile 380.75
    vinylene carbonate 394.63
    1,1,2-trichlorotrifluoroethane 438.92
    DMS 382.91
    cumene 162.35
    2-octanol 90.25
    2-hexanone 408.83
    octyl acetate 201.85
    limonene 252.11
    1,2-dimethoxyethane 718.75
    ethyl orthosilicate 190.62
    tributyl phosphate 145.81
    diacetone alcohol 499.57
    N,N-dimethylaniline 288.67
    acrylonitrile 333.98
    aniline 522.1
    1,3-propanediol 245.56
    bromobenzene 781.02
    dibromomethane 1011.65
    1,1,2,2-tetrachloroethane 1214.11
    2-methyl-cyclohexyl acetate 354.39
    tetrabutyl urea 165.56
    diisobutyl methanol 162.23
    2-phenylethanol 401.77
    styrene 325.93
    dioctyl adipate 242.78
    dimethyl sulfate 220.43
    ethyl butyrate 478.53
    methyl lactate 165.2
    butyl lactate 203.25
    diethyl carbonate 281.22
    propanediol butyl ether 236.91
    triethyl orthoformate 325.28
    p-tert-butyltoluene 161.85
    methyl 4-tert-butylbenzoate 293.38
    morpholine 1612.72
    tert-butylamine 358.92
    n-dodecanol 68.56
    dimethoxymethane 896.69
    ethylene carbonate 362.4
    cyrene 240.29
    2-ethoxyethyl acetate 565.58
    2-ethylhexyl acetate 599.55
    1,2,4-trichlorobenzene 571.88
    4-methylpyridine 1113.79
    dibutyl ether 320.32
    2,6-dimethyl-4-heptanol 162.23
    DEF 801.44
    dimethyl isosorbide 723.67
    tetrachloroethylene 639.41
    eugenol 246.59
    triacetin 379.0
    span 80 301.97
    1,4-butanediol 61.36
    1,1-dichloroethane 976.58
    2-methyl-1-pentanol 295.31
    methyl formate 164.91
    2-methyl-1-butanol 439.27
    n-decane 20.96
    butyronitrile 543.36
    3,7-dimethyl-1-octanol 191.31
    1-chlorooctane 124.84
    1-chlorotetradecane 45.92
    n-nonane 19.36
    undecane 15.03
    tert-butylcyclohexane 60.65
    cyclooctane 55.19
    cyclopentanol 321.85
    tetrahydropyran 1763.08
    tert-amyl methyl ether 592.08
    2,5,8-trioxanonane 603.03
    1-hexene 288.71
    2-isopropoxyethanol 280.07
    2,2,2-trifluoroethanol 53.63
    methyl butyrate 483.67

    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