1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, dihydro deriv.

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68084-50-4

    Molecular formula
    C14H24O

    SMILES
    CCC(=O)/C=C/C1C(CCCC1(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.78%
    Violet 55.68%
    Floral 53.98%
    Orris 51.97%
    Powdery 47.69%
    Dry 47.05%
    Amber 45.58%
    Berry 40.85%
    Tobacco 39.17%
    Musk 39.1%

     

    Flavor
    Woody 69.93%
    Floral 65.26%
    Sweet 51.62%
    Fruity 47.98%
    Violet 39.83%
    Tropical 39.01%
    Herbal 38.86%
    Orris 34.87%
    Spicy 34.14%
    Berry 30.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    9.09 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 115.7 ˚C est.

  • Synonyms

    • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, dihydro deriv.
    • 68084-50-4
    • RefChem:76895
    • SCHEMBL21989272
    • 68084-50-4

  • Applications

    The compound 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, dihydro deriv. (CAS 68084-50-4) is relevant to several real-world applications in fragrance, cosmetics, household products, and industrial manufacture. It is commonly evaluated as a fragrance ingredient and odorant, with potential as a light fixative due to its bulky cyclohexene-derived skeleton. In cosmetics and personal care, it may be used to impart or modulate scent in formulations such as lotions, shampoos, and creams. It can serve as an intermediate in the industrial synthesis of fragrance compounds and related chemicals. Some formulations consider its use in flavor/aroma formulations, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3232.61
    methanol 2349.73
    isopropanol 2668.3
    water 0.59
    ethyl acetate 4856.61
    n-propanol 2696.08
    acetone 4172.05
    n-butanol 2943.28
    acetonitrile 2499.73
    DMF 3540.26
    toluene 2723.49
    isobutanol 2068.02
    1,4-dioxane 5702.05
    methyl acetate 2398.64
    THF 7895.57
    2-butanone 3335.9
    n-pentanol 1178.7
    sec-butanol 1863.03
    n-hexane 454.53
    ethylene glycol 158.83
    NMP 2345.54
    cyclohexane 1217.11
    DMSO 1438.59
    n-butyl acetate 3280.45
    n-octanol 544.72
    chloroform 5651.61
    n-propyl acetate 1661.57
    acetic acid 1318.05
    dichloromethane 5249.8
    cyclohexanone 4551.33
    propylene glycol 324.86
    isopropyl acetate 3219.32
    DMAc 2112.62
    2-ethoxyethanol 1253.9
    isopentanol 2498.1
    n-heptane 247.64
    ethyl formate 1576.53
    1,2-dichloroethane 3921.88
    n-hexanol 2312.71
    2-methoxyethanol 2832.56
    isobutyl acetate 1119.5
    tetrachloromethane 1044.93
    n-pentyl acetate 1219.09
    transcutol 6945.85
    n-heptanol 627.64
    ethylbenzene 799.89
    MIBK 2178.35
    2-propoxyethanol 2982.34
    tert-butanol 2892.39
    MTBE 5079.14
    2-butoxyethanol 1121.86
    propionic acid 1105.61
    o-xylene 1005.09
    formic acid 316.17
    diethyl ether 6351.76
    m-xylene 1536.39
    p-xylene 932.71
    chlorobenzene 2434.62
    dimethyl carbonate 849.35
    n-octane 69.42
    formamide 594.05
    cyclopentanone 4039.64
    2-pentanone 4098.02
    anisole 1476.37
    cyclopentyl methyl ether 4223.21
    gamma-butyrolactone 3717.3
    1-methoxy-2-propanol 2394.68
    pyridine 3524.0
    3-pentanone 2375.08
    furfural 2377.73
    n-dodecane 40.41
    diethylene glycol 1155.76
    diisopropyl ether 1770.75
    tert-amyl alcohol 1959.37
    acetylacetone 3041.14
    n-hexadecane 50.61
    acetophenone 967.89
    methyl propionate 2728.07
    isopentyl acetate 2895.95
    trichloroethylene 5981.9
    n-nonanol 480.32
    cyclohexanol 2411.32
    benzyl alcohol 835.86
    2-ethylhexanol 1128.53
    isooctanol 500.04
    dipropyl ether 2022.65
    1,2-dichlorobenzene 1739.91
    ethyl lactate 420.55
    propylene carbonate 1996.13
    n-methylformamide 1539.1
    2-pentanol 1947.76
    n-pentane 579.24
    1-propoxy-2-propanol 2156.67
    1-methoxy-2-propyl acetate 2916.11
    2-(2-methoxypropoxy) propanol 990.13
    mesitylene 914.04
    ε-caprolactone 3530.85
    p-cymene 491.63
    epichlorohydrin 4851.16
    1,1,1-trichloroethane 3617.23
    2-aminoethanol 586.6
    morpholine-4-carbaldehyde 2940.99
    sulfolane 2467.13
    2,2,4-trimethylpentane 220.24
    2-methyltetrahydrofuran 6397.64
    n-hexyl acetate 1716.82
    isooctane 216.42
    2-(2-butoxyethoxy)ethanol 1566.12
    sec-butyl acetate 1372.07
    tert-butyl acetate 2947.86
    decalin 310.19
    glycerin 394.06
    diglyme 2959.03
    acrylic acid 727.85
    isopropyl myristate 517.88
    n-butyric acid 2652.73
    acetyl acetate 2078.05
    di(2-ethylhexyl) phthalate 413.5
    ethyl propionate 1523.31
    nitromethane 2212.97
    1,2-diethoxyethane 3350.19
    benzonitrile 1478.31
    trioctyl phosphate 298.14
    1-bromopropane 3144.04
    gamma-valerolactone 5105.97
    n-decanol 321.9
    triethyl phosphate 484.01
    4-methyl-2-pentanol 1046.5
    propionitrile 2355.81
    vinylene carbonate 1732.16
    1,1,2-trichlorotrifluoroethane 1770.84
    DMS 1166.53
    cumene 473.69
    2-octanol 401.01
    2-hexanone 1520.07
    octyl acetate 623.29
    limonene 866.8
    1,2-dimethoxyethane 2681.44
    ethyl orthosilicate 550.11
    tributyl phosphate 452.58
    diacetone alcohol 1814.37
    N,N-dimethylaniline 815.66
    acrylonitrile 1935.37
    aniline 2109.4
    1,3-propanediol 1222.02
    bromobenzene 2841.5
    dibromomethane 3675.37
    1,1,2,2-tetrachloroethane 4317.19
    2-methyl-cyclohexyl acetate 1027.12
    tetrabutyl urea 468.79
    diisobutyl methanol 606.17
    2-phenylethanol 1281.1
    styrene 1049.41
    dioctyl adipate 656.07
    dimethyl sulfate 847.96
    ethyl butyrate 1687.8
    methyl lactate 611.19
    butyl lactate 700.84
    diethyl carbonate 898.81
    propanediol butyl ether 787.21
    triethyl orthoformate 1056.06
    p-tert-butyltoluene 526.56
    methyl 4-tert-butylbenzoate 826.6
    morpholine 6855.67
    tert-butylamine 2352.45
    n-dodecanol 219.35
    dimethoxymethane 3536.62
    ethylene carbonate 1785.65
    cyrene 623.17
    2-ethoxyethyl acetate 1806.25
    2-ethylhexyl acetate 2168.93
    1,2,4-trichlorobenzene 1870.55
    4-methylpyridine 4366.28
    dibutyl ether 1172.08
    2,6-dimethyl-4-heptanol 606.17
    DEF 3683.8
    dimethyl isosorbide 1791.85
    tetrachloroethylene 2741.56
    eugenol 698.25
    triacetin 1050.01
    span 80 803.08
    1,4-butanediol 267.7
    1,1-dichloroethane 4194.77
    2-methyl-1-pentanol 1078.02
    methyl formate 959.97
    2-methyl-1-butanol 2050.72
    n-decane 89.11
    butyronitrile 3131.06
    3,7-dimethyl-1-octanol 662.85
    1-chlorooctane 478.3
    1-chlorotetradecane 148.38
    n-nonane 88.01
    undecane 57.01
    tert-butylcyclohexane 261.65
    cyclooctane 349.1
    cyclopentanol 1828.34
    tetrahydropyran 8256.92
    tert-amyl methyl ether 2407.87
    2,5,8-trioxanonane 1608.71
    1-hexene 1446.45
    2-isopropoxyethanol 908.65
    2,2,2-trifluoroethanol 382.42
    methyl butyrate 1891.51

    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