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

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  • Identifiers

    Molecular formula
    C14H22O

    SMILES
    CCC(=O)C=CC1=C(CCCC1(C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 84.22%
    Floral 82.93%
    Fruity 65.49%
    Violet 65.32%
    Berry 60.85%
    Sweet 60.38%
    Orris 59.16%
    Powdery 58.55%
    Raspberry 49.73%
    Tobacco 47.08%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point est.
    117.58 ˚C

  • Synonyms

    • DTXSID6051643
    • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one
    • DTXCID7030195
    • AKOS024332471
    • DB-280052
    • NS00009716
    • 5-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-4-en-3-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1373.82
    methanol 1215.17
    isopropanol 948.52
    water 0.41
    ethyl acetate 2180.54
    n-propanol 1160.52
    acetone 1692.01
    n-butanol 1213.05
    acetonitrile 1057.94
    DMF 2198.59
    toluene 1731.05
    isobutanol 809.79
    1,4-dioxane 3046.71
    methyl acetate 1215.54
    THF 3857.67
    2-butanone 1568.3
    n-pentanol 554.99
    sec-butanol 795.76
    n-hexane 207.51
    ethylene glycol 86.83
    NMP 1839.53
    cyclohexane 519.16
    DMSO 732.94
    n-butyl acetate 1582.91
    n-octanol 250.69
    chloroform 3448.78
    n-propyl acetate 777.63
    acetic acid 701.97
    dichloromethane 3223.99
    cyclohexanone 2494.93
    propylene glycol 152.31
    isopropyl acetate 1430.3
    DMAc 1609.07
    2-ethoxyethanol 617.23
    isopentanol 1067.59
    n-heptane 104.32
    ethyl formate 766.19
    1,2-dichloroethane 2204.5
    n-hexanol 1013.69
    2-methoxyethanol 1364.23
    isobutyl acetate 573.37
    tetrachloromethane 537.4
    n-pentyl acetate 630.67
    transcutol 4104.13
    n-heptanol 305.08
    ethylbenzene 518.28
    MIBK 940.2
    2-propoxyethanol 1486.49
    tert-butanol 1144.5
    MTBE 1987.11
    2-butoxyethanol 591.84
    propionic acid 557.63
    o-xylene 646.15
    formic acid 211.31
    diethyl ether 2826.59
    m-xylene 915.07
    p-xylene 604.39
    chlorobenzene 1492.65
    dimethyl carbonate 526.77
    n-octane 30.25
    formamide 390.7
    cyclopentanone 2256.19
    2-pentanone 1753.15
    anisole 995.52
    cyclopentyl methyl ether 2127.9
    gamma-butyrolactone 2000.68
    1-methoxy-2-propanol 1034.7
    pyridine 2188.94
    3-pentanone 1265.34
    furfural 1449.32
    n-dodecane 19.06
    diethylene glycol 637.19
    diisopropyl ether 704.21
    tert-amyl alcohol 890.64
    acetylacetone 1501.14
    n-hexadecane 23.78
    acetophenone 681.82
    methyl propionate 1426.49
    isopentyl acetate 1396.83
    trichloroethylene 3704.39
    n-nonanol 242.13
    cyclohexanol 1165.55
    benzyl alcohol 553.02
    2-ethylhexanol 538.98
    isooctanol 247.73
    dipropyl ether 919.25
    1,2-dichlorobenzene 1147.89
    ethyl lactate 237.64
    propylene carbonate 1083.58
    n-methylformamide 832.28
    2-pentanol 775.69
    n-pentane 229.18
    1-propoxy-2-propanol 995.08
    1-methoxy-2-propyl acetate 1557.87
    2-(2-methoxypropoxy) propanol 601.43
    mesitylene 505.53
    ε-caprolactone 1901.3
    p-cymene 282.12
    epichlorohydrin 2759.48
    1,1,1-trichloroethane 2034.39
    2-aminoethanol 288.99
    morpholine-4-carbaldehyde 2057.06
    sulfolane 1499.18
    2,2,4-trimethylpentane 104.94
    2-methyltetrahydrofuran 3199.72
    n-hexyl acetate 880.03
    isooctane 87.12
    2-(2-butoxyethoxy)ethanol 908.63
    sec-butyl acetate 697.37
    tert-butyl acetate 1380.47
    decalin 163.73
    glycerin 207.21
    diglyme 1758.95
    acrylic acid 413.35
    isopropyl myristate 286.17
    n-butyric acid 1166.07
    acetyl acetate 1043.76
    di(2-ethylhexyl) phthalate 258.14
    ethyl propionate 775.41
    nitromethane 1235.19
    1,2-diethoxyethane 1675.46
    benzonitrile 882.58
    trioctyl phosphate 169.42
    1-bromopropane 1609.95
    gamma-valerolactone 2789.74
    n-decanol 164.05
    triethyl phosphate 309.78
    4-methyl-2-pentanol 443.89
    propionitrile 1126.55
    vinylene carbonate 1034.34
    1,1,2-trichlorotrifluoroethane 1056.42
    DMS 740.57
    cumene 303.89
    2-octanol 190.62
    2-hexanone 747.22
    octyl acetate 346.4
    limonene 468.7
    1,2-dimethoxyethane 1479.89
    ethyl orthosilicate 345.62
    tributyl phosphate 263.47
    diacetone alcohol 887.08
    N,N-dimethylaniline 602.7
    acrylonitrile 1046.18
    aniline 1274.13
    1,3-propanediol 561.91
    bromobenzene 1721.17
    dibromomethane 2038.17
    1,1,2,2-tetrachloroethane 2669.39
    2-methyl-cyclohexyl acetate 625.64
    tetrabutyl urea 298.59
    diisobutyl methanol 273.7
    2-phenylethanol 761.94
    styrene 706.04
    dioctyl adipate 397.73
    dimethyl sulfate 561.62
    ethyl butyrate 830.77
    methyl lactate 328.38
    butyl lactate 376.31
    diethyl carbonate 502.37
    propanediol butyl ether 397.72
    triethyl orthoformate 568.05
    p-tert-butyltoluene 297.2
    methyl 4-tert-butylbenzoate 522.71
    morpholine 3689.82
    tert-butylamine 920.51
    n-dodecanol 113.91
    dimethoxymethane 1976.07
    ethylene carbonate 959.88
    cyrene 442.64
    2-ethoxyethyl acetate 1010.97
    2-ethylhexyl acetate 1141.25
    1,2,4-trichlorobenzene 1236.72
    4-methylpyridine 2716.22
    dibutyl ether 557.78
    2,6-dimethyl-4-heptanol 273.7
    DEF 1965.15
    dimethyl isosorbide 1184.94
    tetrachloroethylene 1723.84
    eugenol 458.41
    triacetin 630.32
    span 80 481.63
    1,4-butanediol 135.52
    1,1-dichloroethane 2166.69
    2-methyl-1-pentanol 548.23
    methyl formate 543.44
    2-methyl-1-butanol 966.97
    n-decane 39.44
    butyronitrile 1369.25
    3,7-dimethyl-1-octanol 319.71
    1-chlorooctane 241.76
    1-chlorotetradecane 78.31
    n-nonane 36.37
    undecane 26.06
    tert-butylcyclohexane 140.06
    cyclooctane 149.47
    cyclopentanol 801.06
    tetrahydropyran 3992.94
    tert-amyl methyl ether 1210.69
    2,5,8-trioxanonane 1007.84
    1-hexene 657.78
    2-isopropoxyethanol 472.06
    2,2,2-trifluoroethanol 214.2
    methyl butyrate 930.14

    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