1-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one

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  • Identifiers

    CAS number
    67801-30-3

    Molecular formula
    C14H22O

    SMILES
    CCC(=O)/C=C/C1C(CC(=CC1C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 72.33%
    Floral 58.46%
    Violet 37.55%
    Orris 34.75%
    Dry 33.82%
    Fresh 32.11%
    Powdery 29.92%
    Amber 29.22%
    Natural 27.87%
    Green 27.59%

     

    Flavor
    Floral 45.13%
    Spicy 42.58%
    Sweet 40.78%
    Woody 39.83%
    Fruity 36.58%
    Herbal 34.58%
    Spice 33.45%
    Tropical 30.28%
    Minty 30.04%
    Mint 28.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.91 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    280°C

    Flash point

    • 118.94 ˚C est.

  • Synonyms

    • EINECS 267-150-9
    • UNII-G541P2ICU5
    • G541P2ICU5
    • 1-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
    • 1-Penten-3-one, 1-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
    • DTXSID20867339
    • RefChem:73983
    • DTXCID20815532
    • 267-150-9
    • 67801-30-3
    • 5-(2,4,6-Trimethyl-3-cyclohexen-1-yl)pent-4-en-3-one
    • SCHEMBL20608612
    • Q27278767
    • 67801-30-3

  • Applications

    1-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one (CAS 67801-30-3) is primarily used as a fragrance ingredient and odorant in perfumery, where it can act as a fixative to improve scent longevity; it is also employed as an intermediate in fragrance synthesis; in cosmetics and personal care products it appears as a fragrance component; in household products it serves as a scent ingredient for air fresheners and cleaners; and in industrial manufacturing it is commonly evaluated for use as a fragrance intermediate in formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1683.08
    methanol 1479.29
    isopropanol 1293.36
    water 0.37
    ethyl acetate 1918.56
    n-propanol 1261.52
    acetone 1828.86
    n-butanol 1365.52
    acetonitrile 1199.23
    DMF 1286.03
    toluene 1285.76
    isobutanol 888.78
    1,4-dioxane 2666.84
    methyl acetate 1028.63
    THF 3445.38
    2-butanone 1383.83
    n-pentanol 651.15
    sec-butanol 834.19
    n-hexane 177.01
    ethylene glycol 77.69
    NMP 1026.93
    cyclohexane 424.66
    DMSO 732.64
    n-butyl acetate 1405.28
    n-octanol 231.32
    chloroform 2948.51
    n-propyl acetate 695.75
    acetic acid 707.88
    dichloromethane 2798.68
    cyclohexanone 2005.44
    propylene glycol 143.06
    isopropyl acetate 1184.5
    DMAc 888.24
    2-ethoxyethanol 607.6
    isopentanol 1128.5
    n-heptane 93.05
    ethyl formate 645.3
    1,2-dichloroethane 1812.59
    n-hexanol 1074.67
    2-methoxyethanol 1261.72
    isobutyl acetate 470.3
    tetrachloromethane 442.99
    n-pentyl acetate 523.5
    transcutol 3364.07
    n-heptanol 269.44
    ethylbenzene 342.69
    MIBK 824.42
    2-propoxyethanol 1460.48
    tert-butanol 1299.97
    MTBE 1811.63
    2-butoxyethanol 507.26
    propionic acid 495.94
    o-xylene 414.17
    formic acid 153.42
    diethyl ether 2707.26
    m-xylene 663.58
    p-xylene 378.9
    chlorobenzene 1010.17
    dimethyl carbonate 290.61
    n-octane 29.1
    formamide 246.03
    cyclopentanone 1728.69
    2-pentanone 1562.19
    anisole 611.51
    cyclopentyl methyl ether 1743.84
    gamma-butyrolactone 1466.38
    1-methoxy-2-propanol 1025.51
    pyridine 1695.5
    3-pentanone 949.73
    furfural 1014.01
    n-dodecane 20.2
    diethylene glycol 577.7
    diisopropyl ether 589.55
    tert-amyl alcohol 803.94
    acetylacetone 1140.66
    n-hexadecane 24.35
    acetophenone 427.66
    methyl propionate 1012.75
    isopentyl acetate 1171.39
    trichloroethylene 2797.79
    n-nonanol 204.9
    cyclohexanol 1144.39
    benzyl alcohol 420.75
    2-ethylhexanol 507.72
    isooctanol 213.47
    dipropyl ether 773.73
    1,2-dichlorobenzene 703.37
    ethyl lactate 184.65
    propylene carbonate 769.81
    n-methylformamide 538.53
    2-pentanol 876.23
    n-pentane 219.81
    1-propoxy-2-propanol 948.12
    1-methoxy-2-propyl acetate 1109.86
    2-(2-methoxypropoxy) propanol 446.38
    mesitylene 349.83
    ε-caprolactone 1426.05
    p-cymene 207.97
    epichlorohydrin 2198.51
    1,1,1-trichloroethane 1547.97
    2-aminoethanol 269.18
    morpholine-4-carbaldehyde 1245.73
    sulfolane 1022.88
    2,2,4-trimethylpentane 79.55
    2-methyltetrahydrofuran 2776.86
    n-hexyl acetate 716.65
    isooctane 73.71
    2-(2-butoxyethoxy)ethanol 696.56
    sec-butyl acetate 538.05
    tert-butyl acetate 1037.34
    decalin 116.1
    glycerin 179.42
    diglyme 1335.22
    acrylic acid 330.13
    isopropyl myristate 216.77
    n-butyric acid 1196.16
    acetyl acetate 776.64
    di(2-ethylhexyl) phthalate 199.91
    ethyl propionate 583.01
    nitromethane 975.57
    1,2-diethoxyethane 1503.07
    benzonitrile 683.8
    trioctyl phosphate 135.06
    1-bromopropane 1407.77
    gamma-valerolactone 1919.9
    n-decanol 141.66
    triethyl phosphate 211.46
    4-methyl-2-pentanol 438.31
    propionitrile 1002.53
    vinylene carbonate 658.94
    1,1,2-trichlorotrifluoroethane 826.6
    DMS 481.74
    cumene 203.79
    2-octanol 172.27
    2-hexanone 701.69
    octyl acetate 264.64
    limonene 347.18
    1,2-dimethoxyethane 1238.96
    ethyl orthosilicate 237.69
    tributyl phosphate 190.33
    diacetone alcohol 725.62
    N,N-dimethylaniline 340.24
    acrylonitrile 830.72
    aniline 988.77
    1,3-propanediol 595.37
    bromobenzene 1120.29
    dibromomethane 1989.94
    1,1,2,2-tetrachloroethane 1904.37
    2-methyl-cyclohexyl acetate 420.1
    tetrabutyl urea 210.04
    diisobutyl methanol 257.01
    2-phenylethanol 584.16
    styrene 460.91
    dioctyl adipate 282.17
    dimethyl sulfate 305.96
    ethyl butyrate 677.91
    methyl lactate 225.71
    butyl lactate 300.1
    diethyl carbonate 350.53
    propanediol butyl ether 360.12
    triethyl orthoformate 410.88
    p-tert-butyltoluene 206.73
    methyl 4-tert-butylbenzoate 352.46
    morpholine 3134.89
    tert-butylamine 897.74
    n-dodecanol 101.28
    dimethoxymethane 1411.56
    ethylene carbonate 659.9
    cyrene 316.54
    2-ethoxyethyl acetate 819.21
    2-ethylhexyl acetate 876.07
    1,2,4-trichlorobenzene 759.22
    4-methylpyridine 2002.43
    dibutyl ether 463.47
    2,6-dimethyl-4-heptanol 257.01
    DEF 1301.0
    dimethyl isosorbide 796.33
    tetrachloroethylene 1297.62
    eugenol 330.01
    triacetin 440.48
    span 80 377.97
    1,4-butanediol 144.93
    1,1-dichloroethane 1911.25
    2-methyl-1-pentanol 574.7
    methyl formate 380.45
    2-methyl-1-butanol 952.84
    n-decane 38.73
    butyronitrile 1297.35
    3,7-dimethyl-1-octanol 278.35
    1-chlorooctane 204.59
    1-chlorotetradecane 67.49
    n-nonane 37.61
    undecane 26.75
    tert-butylcyclohexane 104.48
    cyclooctane 112.98
    cyclopentanol 823.66
    tetrahydropyran 3788.76
    tert-amyl methyl ether 945.83
    2,5,8-trioxanonane 724.74
    1-hexene 629.55
    2-isopropoxyethanol 447.71
    2,2,2-trifluoroethanol 184.72
    methyl butyrate 724.39

    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