2-Methylnon-4-EN-3-one

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  • Identifiers

    CAS number
    11072-28-9

    Molecular formula
    C10H18O

    SMILES
    CCCCC=CC(=O)C(C)C

  • Odor profile

    Fragrance
    Fruity 87.32%
    Herbal 68.32%
    Ketonic 52.92%
    Green 45.19%
    Fatty 44.41%
    Cheesy 43.48%
    Earthy 42.97%
    Fresh 42.94%
    Mushroom 39.66%
    Oily 35.68%

     

    Flavor
    Fruity 65.66%
    Green 51.36%
    Herbal 42.31%
    Spicy 36.83%
    Sweet 31.87%
    Floral 31.07%
    Tropical 28.33%
    Berry 26.77%
    Oily 26.51%
    Fatty 26.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.92 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    202°C

    Flash point

    • 70.21 ˚C est.

  • Synonyms

    • 2-METHYLNON-4-EN-3-ONE
    • 11072-28-9
    • DTXSID50779976

  • Applications

    2-Methylnon-4-EN-3-one (CAS 11072-28-9) is commonly used as an intermediate in fragrance chemistry, serving as a building block for more complex odor compounds; it may be used as a fragrance ingredient or scent precursor in perfumery and cosmetic/personal care formulations. In household cleaning products, it can contribute aroma notes to formulations. In industrial manufacturing, the compound functions as a reactive intermediate in the synthesis of specialty chemicals and as a precursor for polymer or resin formulations, including coatings and inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4705.72
    methanol 3787.14
    isopropanol 4911.5
    water 0.49
    ethyl acetate 5724.72
    n-propanol 4084.04
    acetone 7983.57
    n-butanol 4418.1
    acetonitrile 6006.29
    DMF 5347.1
    toluene 2603.08
    isobutanol 4057.31
    1,4-dioxane 4671.0
    methyl acetate 4340.82
    THF 5833.77
    2-butanone 6265.85
    n-pentanol 3077.69
    sec-butanol 5075.93
    n-hexane 3320.66
    ethylene glycol 316.33
    NMP 3875.07
    cyclohexane 2502.24
    DMSO 3389.09
    n-butyl acetate 7008.94
    n-octanol 1899.81
    chloroform 10180.5
    n-propyl acetate 3967.59
    acetic acid 2721.46
    dichloromethane 8533.84
    cyclohexanone 7648.99
    propylene glycol 706.28
    isopropyl acetate 3570.46
    DMAc 3248.55
    2-ethoxyethanol 2078.16
    isopentanol 4663.24
    n-heptane 1107.67
    ethyl formate 2910.32
    1,2-dichloroethane 6024.02
    n-hexanol 4660.75
    2-methoxyethanol 3104.79
    isobutyl acetate 2252.51
    tetrachloromethane 2640.96
    n-pentyl acetate 3061.88
    transcutol 8182.76
    n-heptanol 1789.0
    ethylbenzene 1892.38
    MIBK 2990.35
    2-propoxyethanol 3744.36
    tert-butanol 6444.14
    MTBE 7665.11
    2-butoxyethanol 2112.75
    propionic acid 2697.36
    o-xylene 1609.06
    formic acid 483.82
    diethyl ether 6421.75
    m-xylene 1756.67
    p-xylene 2388.38
    chlorobenzene 3750.48
    dimethyl carbonate 857.78
    n-octane 459.98
    formamide 836.07
    cyclopentanone 6218.59
    2-pentanone 5590.83
    anisole 2469.98
    cyclopentyl methyl ether 4136.71
    gamma-butyrolactone 5286.7
    1-methoxy-2-propanol 2740.97
    pyridine 5593.33
    3-pentanone 3549.95
    furfural 3919.59
    n-dodecane 233.84
    diethylene glycol 1457.2
    diisopropyl ether 2198.32
    tert-amyl alcohol 5952.73
    acetylacetone 3669.4
    n-hexadecane 276.67
    acetophenone 2147.18
    methyl propionate 3121.0
    isopentyl acetate 5439.6
    trichloroethylene 10398.78
    n-nonanol 1532.72
    cyclohexanol 4473.04
    benzyl alcohol 1705.76
    2-ethylhexanol 3210.29
    isooctanol 1596.86
    dipropyl ether 3464.69
    1,2-dichlorobenzene 3061.42
    ethyl lactate 927.82
    propylene carbonate 3176.61
    n-methylformamide 2378.22
    2-pentanol 4155.4
    n-pentane 1682.7
    1-propoxy-2-propanol 3470.67
    1-methoxy-2-propyl acetate 3059.12
    2-(2-methoxypropoxy) propanol 1719.74
    mesitylene 1187.66
    ε-caprolactone 5440.36
    p-cymene 1106.22
    epichlorohydrin 5757.79
    1,1,1-trichloroethane 7757.64
    2-aminoethanol 1008.88
    morpholine-4-carbaldehyde 3433.77
    sulfolane 4707.68
    2,2,4-trimethylpentane 708.11
    2-methyltetrahydrofuran 6919.21
    n-hexyl acetate 3847.85
    isooctane 605.93
    2-(2-butoxyethoxy)ethanol 2368.45
    sec-butyl acetate 2664.74
    tert-butyl acetate 3338.1
    decalin 994.95
    glycerin 697.78
    diglyme 3892.5
    acrylic acid 1789.62
    isopropyl myristate 1206.07
    n-butyric acid 5173.06
    acetyl acetate 2282.47
    di(2-ethylhexyl) phthalate 846.86
    ethyl propionate 2966.56
    nitromethane 4129.29
    1,2-diethoxyethane 4553.36
    benzonitrile 3627.77
    trioctyl phosphate 695.56
    1-bromopropane 5590.04
    gamma-valerolactone 5719.4
    n-decanol 1055.9
    triethyl phosphate 886.23
    4-methyl-2-pentanol 2119.19
    propionitrile 4927.89
    vinylene carbonate 2801.01
    1,1,2-trichlorotrifluoroethane 3381.57
    DMS 1740.21
    cumene 1197.99
    2-octanol 1563.89
    2-hexanone 4420.88
    octyl acetate 1455.29
    limonene 1935.18
    1,2-dimethoxyethane 4474.71
    ethyl orthosilicate 1012.25
    tributyl phosphate 1002.79
    diacetone alcohol 2567.09
    N,N-dimethylaniline 1605.07
    acrylonitrile 4542.65
    aniline 2689.56
    1,3-propanediol 1727.31
    bromobenzene 4247.19
    dibromomethane 6783.45
    1,1,2,2-tetrachloroethane 8526.73
    2-methyl-cyclohexyl acetate 1934.67
    tetrabutyl urea 1152.77
    diisobutyl methanol 1524.05
    2-phenylethanol 2012.17
    styrene 2408.57
    dioctyl adipate 1371.27
    dimethyl sulfate 1194.57
    ethyl butyrate 3334.28
    methyl lactate 910.5
    butyl lactate 1715.84
    diethyl carbonate 1754.49
    propanediol butyl ether 1977.6
    triethyl orthoformate 1800.26
    p-tert-butyltoluene 1045.87
    methyl 4-tert-butylbenzoate 1469.25
    morpholine 6081.9
    tert-butylamine 5509.78
    n-dodecanol 767.3
    dimethoxymethane 2421.12
    ethylene carbonate 2449.33
    cyrene 1101.91
    2-ethoxyethyl acetate 2872.96
    2-ethylhexyl acetate 4109.1
    1,2,4-trichlorobenzene 3215.86
    4-methylpyridine 6710.86
    dibutyl ether 3493.92
    2,6-dimethyl-4-heptanol 1524.05
    DEF 5088.39
    dimethyl isosorbide 2386.02
    tetrachloroethylene 5388.56
    eugenol 1438.61
    triacetin 2059.48
    span 80 1767.16
    1,4-butanediol 740.61
    1,1-dichloroethane 8289.03
    2-methyl-1-pentanol 3290.19
    methyl formate 1638.34
    2-methyl-1-butanol 4342.9
    n-decane 477.79
    butyronitrile 6327.5
    3,7-dimethyl-1-octanol 2006.01
    1-chlorooctane 1731.25
    1-chlorotetradecane 551.59
    n-nonane 580.01
    undecane 321.46
    tert-butylcyclohexane 982.86
    cyclooctane 696.07
    cyclopentanol 3600.83
    tetrahydropyran 7831.02
    tert-amyl methyl ether 4621.32
    2,5,8-trioxanonane 2225.82
    1-hexene 6607.48
    2-isopropoxyethanol 1951.14
    2,2,2-trifluoroethanol 692.61
    methyl butyrate 4535.35

    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