4-Hexen-3-one, 4-ethyl-2,2,5-trimethyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68165-37-7

    Molecular formula
    C11H20O

    SMILES
    CCC(=C(C)C)C(=O)C(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 72.69%
    Fruity 51.58%
    Mint 50.32%
    Camphoreous 43.09%
    Fresh 36.45%
    Citrus 34.82%
    Woody 34.73%
    Floral 30.9%
    Rose 30.65%
    Ketonic 28.34%

     

    Flavor
    Green 58.65%
    Herbal 52.16%
    Woody 44.74%
    Sweet 36.72%
    Herb 34.19%
    Fruity 33.74%
    Citrus 32.53%
    Bergamot 31.42%
    Lavender 30.84%
    Berry 30.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.47 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    183°C

    Flash point

    • 68.95 ˚C est.

  • Synonyms

    • 68165-37-7
    • 4-Hexen-3-one,4-ethyl-2,2,5-trimethyl-
    • 4-Hexen-3-one, 4-ethyl-2,2,5-trimethyl-
    • 4-ethyl-2,2,5-trimethylhex-4-en-3-one
    • SCHEMBL16322399
    • DTXSID40218344
    • 68165-37-7

  • Applications

    4-Hexen-3-one, 4-ethyl-2,2,5-trimethyl- is typically used as a specialty chemical intermediate in fragrance chemistry, serving as an odorant or scent precursor in perfumery and cosmetics formulations; it may also be employed in household products as a fragrance ingredient, contributing green and woody notes. In industrial manufacturing it functions as an intermediate for the synthesis of aroma compounds and related intermediates, and may find applications in polymer and coating workflows as a reactive building block, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2727.6
    methanol 2554.7
    isopropanol 3779.69
    water 16.87
    ethyl acetate 4941.48
    n-propanol 3551.1
    acetone 5242.1
    n-butanol 3833.14
    acetonitrile 5040.74
    DMF 5794.69
    toluene 4821.53
    isobutanol 3817.04
    1,4-dioxane 6502.8
    methyl acetate 4587.4
    THF 8299.61
    2-butanone 5430.56
    n-pentanol 2536.09
    sec-butanol 4498.3
    n-hexane 3887.03
    ethylene glycol 592.44
    NMP 5574.39
    cyclohexane 4762.22
    DMSO 2233.16
    n-butyl acetate 5357.39
    n-octanol 3854.0
    chloroform 15944.42
    n-propyl acetate 3203.62
    acetic acid 2317.0
    dichloromethane 9774.44
    cyclohexanone 9472.64
    propylene glycol 1020.92
    isopropyl acetate 3950.08
    DMAc 4638.64
    2-ethoxyethanol 2165.17
    isopentanol 3769.17
    n-heptane 2132.9
    ethyl formate 3207.35
    1,2-dichloroethane 6404.82
    n-hexanol 4653.66
    2-methoxyethanol 3269.06
    isobutyl acetate 2534.52
    tetrachloromethane 5316.08
    n-pentyl acetate 3785.11
    transcutol 3979.38
    n-heptanol 2791.22
    ethylbenzene 3493.76
    MIBK 3677.34
    2-propoxyethanol 3677.72
    tert-butanol 5260.41
    MTBE 6279.41
    2-butoxyethanol 2583.2
    propionic acid 2825.61
    o-xylene 3648.88
    formic acid 698.65
    diethyl ether 5450.5
    m-xylene 4056.17
    p-xylene 4750.31
    chlorobenzene 5106.51
    dimethyl carbonate 1850.62
    n-octane 1245.96
    formamide 873.22
    cyclopentanone 8126.72
    2-pentanone 5255.72
    anisole 3483.45
    cyclopentyl methyl ether 6458.05
    gamma-butyrolactone 7435.18
    1-methoxy-2-propanol 3310.23
    pyridine 5119.92
    3-pentanone 4489.6
    furfural 5270.53
    n-dodecane 768.81
    diethylene glycol 1701.91
    diisopropyl ether 3221.36
    tert-amyl alcohol 4974.77
    acetylacetone 4319.89
    n-hexadecane 902.18
    acetophenone 3077.73
    methyl propionate 3912.33
    isopentyl acetate 4870.15
    trichloroethylene 12435.83
    n-nonanol 2884.42
    cyclohexanol 5915.71
    benzyl alcohol 2178.09
    2-ethylhexanol 3493.46
    isooctanol 2362.37
    dipropyl ether 3774.07
    1,2-dichlorobenzene 4772.06
    ethyl lactate 1428.44
    propylene carbonate 5205.11
    n-methylformamide 2741.0
    2-pentanol 4021.78
    n-pentane 2840.32
    1-propoxy-2-propanol 3471.53
    1-methoxy-2-propyl acetate 3440.99
    2-(2-methoxypropoxy) propanol 1750.29
    mesitylene 3023.38
    ε-caprolactone 6643.12
    p-cymene 2449.22
    epichlorohydrin 6889.74
    1,1,1-trichloroethane 11079.69
    2-aminoethanol 1134.95
    morpholine-4-carbaldehyde 5064.73
    sulfolane 6156.86
    2,2,4-trimethylpentane 1462.2
    2-methyltetrahydrofuran 7798.2
    n-hexyl acetate 6012.07
    isooctane 1159.19
    2-(2-butoxyethoxy)ethanol 2294.89
    sec-butyl acetate 2669.7
    tert-butyl acetate 4199.93
    decalin 2081.94
    glycerin 1096.81
    diglyme 4141.52
    acrylic acid 2138.41
    isopropyl myristate 2018.0
    n-butyric acid 4351.35
    acetyl acetate 3071.06
    di(2-ethylhexyl) phthalate 1255.27
    ethyl propionate 3236.4
    nitromethane 4642.94
    1,2-diethoxyethane 3242.11
    benzonitrile 3947.84
    trioctyl phosphate 1224.9
    1-bromopropane 5767.1
    gamma-valerolactone 7745.64
    n-decanol 1943.33
    triethyl phosphate 1433.78
    4-methyl-2-pentanol 2511.56
    propionitrile 5024.81
    vinylene carbonate 4390.53
    1,1,2-trichlorotrifluoroethane 4315.64
    DMS 2885.8
    cumene 2611.92
    2-octanol 3075.34
    2-hexanone 3645.38
    octyl acetate 2485.68
    limonene 3443.03
    1,2-dimethoxyethane 4545.76
    ethyl orthosilicate 1474.16
    tributyl phosphate 1365.01
    diacetone alcohol 3113.27
    N,N-dimethylaniline 2788.54
    acrylonitrile 4603.57
    aniline 3359.05
    1,3-propanediol 1890.55
    bromobenzene 6021.36
    dibromomethane 7687.97
    1,1,2,2-tetrachloroethane 11484.68
    2-methyl-cyclohexyl acetate 2632.09
    tetrabutyl urea 1674.73
    diisobutyl methanol 1992.23
    2-phenylethanol 2787.65
    styrene 3431.54
    dioctyl adipate 1971.32
    dimethyl sulfate 2450.24
    ethyl butyrate 3256.72
    methyl lactate 1702.88
    butyl lactate 2208.08
    diethyl carbonate 2134.77
    propanediol butyl ether 2495.64
    triethyl orthoformate 2218.19
    p-tert-butyltoluene 2517.05
    methyl 4-tert-butylbenzoate 2892.56
    morpholine 6290.61
    tert-butylamine 4638.57
    n-dodecanol 1469.28
    dimethoxymethane 3952.55
    ethylene carbonate 3947.14
    cyrene 1656.82
    2-ethoxyethyl acetate 2810.64
    2-ethylhexyl acetate 4083.35
    1,2,4-trichlorobenzene 4869.57
    4-methylpyridine 6792.83
    dibutyl ether 3925.62
    2,6-dimethyl-4-heptanol 1992.23
    DEF 5191.3
    dimethyl isosorbide 3258.5
    tetrachloroethylene 8071.13
    eugenol 2288.98
    triacetin 2615.98
    span 80 1993.02
    1,4-butanediol 980.31
    1,1-dichloroethane 9398.09
    2-methyl-1-pentanol 2538.32
    methyl formate 2677.52
    2-methyl-1-butanol 3921.44
    n-decane 1456.86
    butyronitrile 6061.21
    3,7-dimethyl-1-octanol 2958.28
    1-chlorooctane 3594.39
    1-chlorotetradecane 1328.04
    n-nonane 1734.66
    undecane 1010.09
    tert-butylcyclohexane 2068.05
    cyclooctane 2343.86
    cyclopentanol 5211.92
    tetrahydropyran 8291.83
    tert-amyl methyl ether 4893.31
    2,5,8-trioxanonane 2402.91
    1-hexene 5643.22
    2-isopropoxyethanol 1894.29
    2,2,2-trifluoroethanol 1173.88
    methyl butyrate 4084.42

    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