1-(3,5,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one

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  • Identifiers

    CAS number
    67801-32-5

    Molecular formula
    C14H22O

    SMILES
    CCC(=O)/C=C/C1CC(=CC(C1C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 71.17%
    Floral 60.04%
    Violet 39.86%
    Orris 36.65%
    Dry 35.36%
    Fresh 35.31%
    Green 33.6%
    Powdery 30.99%
    Amber 29.45%
    Natural 28.81%

     

    Flavor
    Floral 44.08%
    Spicy 41.3%
    Woody 39.08%
    Herbal 37.47%
    Sweet 36.54%
    Spice 33.18%
    Fruity 32.39%
    Minty 31.56%
    Mint 29.36%
    Tropical 28.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.21 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 119.91 ˚C est.

  • Synonyms

    • EINECS 267-153-5
    • UNII-V0Z60YM36T
    • V0Z60YM36T
    • 1-(3,5,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
    • 1-Penten-3-one, 1-(3,5,6-trimethyl-3-cyclohexen-1-yl)-
    • DTXSID90867341
    • RefChem:74247
    • DTXCID40815534
    • 267-153-5
    • 67801-32-5
    • 5-(3,5,6-Trimethyl-3-cyclohexen-1-yl)pent-4-en-3-one
    • SCHEMBL20608586
    • Q27291391
    • 67801-32-5

  • Applications

    The compound 1-(3,5,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one (CAS 67801-32-5) is primarily used as a fragrance ingredient, functioning as an odorant and often serving as a fixative in perfumery. It may be employed as an intermediate in the synthesis of other aroma compounds in industrial manufacturing. In cosmetics and personal care, as well as in household products, it contributes distinctive scent notes and is sometimes evaluated for use in coatings and inks as a fragrance additive. It may also be considered for flavor applications in controlled formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 888.89
    methanol 733.46
    isopropanol 837.52
    water 0.29
    ethyl acetate 1894.39
    n-propanol 924.15
    acetone 1859.82
    n-butanol 956.46
    acetonitrile 1146.62
    DMF 1604.95
    toluene 1369.94
    isobutanol 696.26
    1,4-dioxane 2261.62
    methyl acetate 1295.71
    THF 2350.78
    2-butanone 1736.79
    n-pentanol 491.34
    sec-butanol 681.7
    n-hexane 253.04
    ethylene glycol 79.96
    NMP 1098.49
    cyclohexane 334.59
    DMSO 1092.66
    n-butyl acetate 1130.98
    n-octanol 205.5
    chloroform 3383.53
    n-propyl acetate 755.59
    acetic acid 554.82
    dichloromethane 2789.97
    cyclohexanone 1910.91
    propylene glycol 156.5
    isopropyl acetate 1196.83
    DMAc 1213.65
    2-ethoxyethanol 603.39
    isopentanol 947.07
    n-heptane 57.66
    ethyl formate 533.2
    1,2-dichloroethane 2297.3
    n-hexanol 755.81
    2-methoxyethanol 1047.9
    isobutyl acetate 479.81
    tetrachloromethane 584.69
    n-pentyl acetate 507.89
    transcutol 4092.81
    n-heptanol 240.73
    ethylbenzene 492.3
    MIBK 888.63
    2-propoxyethanol 1079.43
    tert-butanol 1150.23
    MTBE 2050.87
    2-butoxyethanol 464.54
    propionic acid 538.63
    o-xylene 600.36
    formic acid 127.64
    diethyl ether 2270.51
    m-xylene 777.76
    p-xylene 530.76
    chlorobenzene 1231.89
    dimethyl carbonate 426.59
    n-octane 21.27
    formamide 264.33
    cyclopentanone 1782.01
    2-pentanone 1598.48
    anisole 871.39
    cyclopentyl methyl ether 1484.18
    gamma-butyrolactone 1449.19
    1-methoxy-2-propanol 982.37
    pyridine 1799.85
    3-pentanone 1265.72
    furfural 1160.31
    n-dodecane 12.62
    diethylene glycol 507.5
    diisopropyl ether 585.88
    tert-amyl alcohol 899.28
    acetylacetone 1276.04
    n-hexadecane 16.08
    acetophenone 597.42
    methyl propionate 1177.86
    isopentyl acetate 1007.62
    trichloroethylene 3442.57
    n-nonanol 188.38
    cyclohexanol 872.39
    benzyl alcohol 514.58
    2-ethylhexanol 400.39
    isooctanol 208.67
    dipropyl ether 561.43
    1,2-dichlorobenzene 946.43
    ethyl lactate 232.61
    propylene carbonate 744.14
    n-methylformamide 609.64
    2-pentanol 713.54
    n-pentane 183.5
    1-propoxy-2-propanol 771.64
    1-methoxy-2-propyl acetate 1027.35
    2-(2-methoxypropoxy) propanol 532.1
    mesitylene 446.1
    ε-caprolactone 1406.05
    p-cymene 207.7
    epichlorohydrin 2182.72
    1,1,1-trichloroethane 2149.97
    2-aminoethanol 251.45
    morpholine-4-carbaldehyde 1336.83
    sulfolane 1337.11
    2,2,4-trimethylpentane 87.27
    2-methyltetrahydrofuran 2019.85
    n-hexyl acetate 710.54
    isooctane 80.25
    2-(2-butoxyethoxy)ethanol 821.55
    sec-butyl acetate 627.17
    tert-butyl acetate 1130.39
    decalin 133.93
    glycerin 213.96
    diglyme 1484.34
    acrylic acid 370.9
    isopropyl myristate 224.16
    n-butyric acid 1001.02
    acetyl acetate 795.46
    di(2-ethylhexyl) phthalate 212.86
    ethyl propionate 711.79
    nitromethane 1040.89
    1,2-diethoxyethane 1438.54
    benzonitrile 756.51
    trioctyl phosphate 139.25
    1-bromopropane 1550.02
    gamma-valerolactone 1877.35
    n-decanol 128.04
    triethyl phosphate 224.09
    4-methyl-2-pentanol 427.38
    propionitrile 1053.1
    vinylene carbonate 657.17
    1,1,2-trichlorotrifluoroethane 1006.1
    DMS 624.04
    cumene 278.59
    2-octanol 169.99
    2-hexanone 838.75
    octyl acetate 273.64
    limonene 311.57
    1,2-dimethoxyethane 1238.03
    ethyl orthosilicate 243.25
    tributyl phosphate 206.63
    diacetone alcohol 864.47
    N,N-dimethylaniline 483.23
    acrylonitrile 1020.16
    aniline 1120.79
    1,3-propanediol 464.43
    bromobenzene 1397.21
    dibromomethane 2113.26
    1,1,2,2-tetrachloroethane 2815.56
    2-methyl-cyclohexyl acetate 413.42
    tetrabutyl urea 229.93
    diisobutyl methanol 228.02
    2-phenylethanol 552.82
    styrene 667.63
    dioctyl adipate 300.69
    dimethyl sulfate 520.37
    ethyl butyrate 565.26
    methyl lactate 322.05
    butyl lactate 354.74
    diethyl carbonate 355.21
    propanediol butyl ether 424.29
    triethyl orthoformate 385.61
    p-tert-butyltoluene 214.21
    methyl 4-tert-butylbenzoate 444.0
    morpholine 2521.65
    tert-butylamine 834.1
    n-dodecanol 90.82
    dimethoxymethane 1267.65
    ethylene carbonate 631.24
    cyrene 371.65
    2-ethoxyethyl acetate 842.56
    2-ethylhexyl acetate 776.57
    1,2,4-trichlorobenzene 1070.05
    4-methylpyridine 2010.67
    dibutyl ether 449.97
    2,6-dimethyl-4-heptanol 228.02
    DEF 1509.64
    dimethyl isosorbide 827.36
    tetrachloroethylene 1657.2
    eugenol 421.85
    triacetin 561.63
    span 80 397.52
    1,4-butanediol 148.24
    1,1-dichloroethane 2384.37
    2-methyl-1-pentanol 541.2
    methyl formate 403.4
    2-methyl-1-butanol 814.73
    n-decane 26.42
    butyronitrile 1029.32
    3,7-dimethyl-1-octanol 277.08
    1-chlorooctane 179.85
    1-chlorotetradecane 55.44
    n-nonane 25.97
    undecane 17.37
    tert-butylcyclohexane 121.88
    cyclooctane 98.74
    cyclopentanol 642.48
    tetrahydropyran 2675.69
    tert-amyl methyl ether 1117.42
    2,5,8-trioxanonane 830.45
    1-hexene 729.62
    2-isopropoxyethanol 499.87
    2,2,2-trifluoroethanol 192.0
    methyl butyrate 845.17

    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