3-Methylnon-2-en-4-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    84607-56-7

    Molecular formula
    C10H18O

    SMILES
    CCCCCC(=O)C(=CC)C

  • Odor profile

    Fruity 85.18%
    Herbal 61.36%
    Earthy 48.16%
    Green 45.75%
    Mushroom 45.45%
    Ketonic 43.42%
    Sweet 40.55%
    Fatty 37.12%
    Fresh 36.31%
    Cheesy 36.01%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.36 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point est.
    71.44 ˚C

  • Applications

    3-Methylnon-2-en-4-one is a C9 α,β-unsaturated ketone with strong Michael-acceptor and dienophile character, making it a versatile building block in organic synthesis: an intermediate for fragrance and flavor construction (selective hydrogenation to saturated ketones/alcohols, epoxidation/di-hydroxylation, 1,4-conjugate addition with N/S/C nucleophiles, or Robinson annulation to access cyclohexanones and heterocycles), a precursor in routes to fatty-chain pharmaceuticals and agrochemicals, and a model substrate to benchmark asymmetric catalysis, conjugate addition, hydrogenation, and Diels–Alder chemistry; in aroma applications the long-chain enone motif can be used directly at trace levels or after derivatization to contribute fatty/green and citrus-woody nuances, and in materials it can be grafted onto polymers via Michael addition to install hydrophobic tails and activated carbonyl handles for downstream modification.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7737.79
    methanol 7058.69
    isopropanol 7446.87
    water 1.39
    ethyl acetate 6558.72
    n-propanol 6622.8
    acetone 8592.78
    n-butanol 6849.59
    acetonitrile 8345.75
    DMF 5131.62
    toluene 2977.88
    isobutanol 5766.07
    1,4-dioxane 8300.56
    methyl acetate 4882.47
    THF 7119.03
    2-butanone 6301.76
    n-pentanol 4417.69
    sec-butanol 6927.09
    n-hexane 3039.8
    ethylene glycol 440.23
    NMP 3871.08
    cyclohexane 3643.59
    DMSO 3144.34
    n-butyl acetate 7335.14
    n-octanol 2221.42
    chloroform 13964.83
    n-propyl acetate 4265.08
    acetic acid 4247.21
    dichloromethane 11129.0
    cyclohexanone 8651.12
    propylene glycol 859.92
    isopropyl acetate 4045.44
    DMAc 3131.37
    2-ethoxyethanol 2979.31
    isopentanol 6465.12
    n-heptane 1238.88
    ethyl formate 3641.9
    1,2-dichloroethane 7269.08
    n-hexanol 6036.05
    2-methoxyethanol 4342.68
    isobutyl acetate 2348.91
    tetrachloromethane 3313.24
    n-pentyl acetate 3298.0
    transcutol 9531.32
    n-heptanol 2199.26
    ethylbenzene 1942.02
    MIBK 2937.33
    2-propoxyethanol 4500.51
    tert-butanol 8859.39
    MTBE 9387.37
    2-butoxyethanol 2520.99
    propionic acid 3509.77
    o-xylene 1577.52
    formic acid 766.7
    diethyl ether 9625.11
    m-xylene 1660.67
    p-xylene 2494.95
    chlorobenzene 4537.31
    dimethyl carbonate 765.48
    n-octane 490.68
    formamide 1229.07
    cyclopentanone 6278.29
    2-pentanone 5560.65
    anisole 2764.68
    cyclopentyl methyl ether 4621.49
    gamma-butyrolactone 5721.24
    1-methoxy-2-propanol 3179.85
    pyridine 8276.29
    3-pentanone 3531.04
    furfural 4178.94
    n-dodecane 255.27
    diethylene glycol 1724.02
    diisopropyl ether 2464.53
    tert-amyl alcohol 7375.37
    acetylacetone 3567.55
    n-hexadecane 301.11
    acetophenone 2116.45
    methyl propionate 3091.57
    isopentyl acetate 5655.62
    trichloroethylene 11827.75
    n-nonanol 1798.33
    cyclohexanol 6135.66
    benzyl alcohol 2072.8
    2-ethylhexanol 3705.11
    isooctanol 1866.4
    dipropyl ether 4040.08
    1,2-dichlorobenzene 3130.27
    ethyl lactate 899.4
    propylene carbonate 3154.02
    n-methylformamide 2900.1
    2-pentanol 5223.55
    n-pentane 1968.51
    1-propoxy-2-propanol 3623.43
    1-methoxy-2-propyl acetate 2841.3
    2-(2-methoxypropoxy) propanol 1691.19
    mesitylene 1095.5
    ε-caprolactone 6638.0
    p-cymene 1093.43
    epichlorohydrin 6908.76
    1,1,1-trichloroethane 8897.56
    2-aminoethanol 1527.9
    morpholine-4-carbaldehyde 3851.53
    sulfolane 4063.65
    2,2,4-trimethylpentane 701.68
    2-methyltetrahydrofuran 8103.69
    n-hexyl acetate 3945.24
    isooctane 600.87
    2-(2-butoxyethoxy)ethanol 2546.1
    sec-butyl acetate 2815.04
    tert-butyl acetate 3518.13
    decalin 1016.73
    glycerin 845.94
    diglyme 4492.46
    acrylic acid 2265.7
    isopropyl myristate 1225.34
    n-butyric acid 6970.63
    acetyl acetate 2691.56
    di(2-ethylhexyl) phthalate 853.21
    ethyl propionate 2953.35
    nitromethane 5701.95
    1,2-diethoxyethane 5558.9
    benzonitrile 4177.13
    trioctyl phosphate 669.06
    1-bromopropane 6923.39
    gamma-valerolactone 6617.11
    n-decanol 1186.21
    triethyl phosphate 883.93
    4-methyl-2-pentanol 2424.56
    propionitrile 6491.57
    vinylene carbonate 3022.8
    1,1,2-trichlorotrifluoroethane 3282.67
    DMS 1659.95
    cumene 1195.69
    2-octanol 1837.75
    2-hexanone 4500.61
    octyl acetate 1474.01
    limonene 2010.32
    1,2-dimethoxyethane 6344.08
    ethyl orthosilicate 1015.04
    tributyl phosphate 936.48
    diacetone alcohol 2571.39
    N,N-dimethylaniline 1627.89
    acrylonitrile 5784.91
    aniline 3415.52
    1,3-propanediol 2620.15
    bromobenzene 4694.25
    dibromomethane 8799.58
    1,1,2,2-tetrachloroethane 9357.85
    2-methyl-cyclohexyl acetate 1864.75
    tetrabutyl urea 1095.98
    diisobutyl methanol 1596.34
    2-phenylethanol 2357.62
    styrene 2677.13
    dioctyl adipate 1333.9
    dimethyl sulfate 943.99
    ethyl butyrate 3566.68
    methyl lactate 845.81
    butyl lactate 1599.05
    diethyl carbonate 1821.84
    propanediol butyl ether 1865.84
    triethyl orthoformate 1987.92
    p-tert-butyltoluene 1020.57
    methyl 4-tert-butylbenzoate 1423.04
    morpholine 10100.89
    tert-butylamine 7751.7
    n-dodecanol 849.3
    dimethoxymethane 2646.25
    ethylene carbonate 2878.42
    cyrene 1072.56
    2-ethoxyethyl acetate 3030.13
    2-ethylhexyl acetate 4177.22
    1,2,4-trichlorobenzene 3152.25
    4-methylpyridine 8115.76
    dibutyl ether 3828.36
    2,6-dimethyl-4-heptanol 1596.34
    DEF 5288.43
    dimethyl isosorbide 2340.92
    tetrachloroethylene 6465.29
    eugenol 1414.36
    triacetin 1890.42
    span 80 1782.56
    1,4-butanediol 989.63
    1,1-dichloroethane 9854.66
    2-methyl-1-pentanol 4198.07
    methyl formate 1850.54
    2-methyl-1-butanol 6072.42
    n-decane 548.17
    butyronitrile 8257.93
    3,7-dimethyl-1-octanol 2148.43
    1-chlorooctane 1848.22
    1-chlorotetradecane 587.44
    n-nonane 615.76
    undecane 351.47
    tert-butylcyclohexane 973.35
    cyclooctane 792.28
    cyclopentanol 4329.16
    tetrahydropyran 11940.71
    tert-amyl methyl ether 5146.06
    2,5,8-trioxanonane 2409.06
    1-hexene 6598.95
    2-isopropoxyethanol 2405.57
    2,2,2-trifluoroethanol 898.29
    methyl butyrate 4770.15

    Scent© AI

1 3

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

Botanical

Name CAS Botanical Proportion
Lemon balm (Spain) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.5%