Non-5-en-4-one

  • Identifiers

    Molecular formula
    C9H16O

    SMILES
    CCCC=CC(=O)CCC

  • Odor profile

    Fragrance
    Fruity 85.7%
    Herbal 63.42%
    Green 63.09%
    Earthy 61.27%
    Mushroom 55.02%
    Sweet 54.75%
    Ketonic 53.07%
    Cheesy 52.68%
    Metallic 47.97%
    Fatty 45.88%

     

    Flavor
    Fruity 60.89%
    Sweet 36.69%
    Green 35.03%
    Fatty 32.11%
    Herbal 32.1%
    Mushroom 30.53%
    Ethereal 27.77%
    Earthy 27.04%
    Nut 25.71%
    Cheese 25.21%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.48 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    187°C

    Flash point

    • 66.97 ˚C est.

  • Applications

    Non-5-en-4-one is primarily used as an intermediate in the synthesis of aroma chemicals for the fragrance industry. It may be used as a fragrance ingredient or odorant in perfumery and cosmetics. It can also serve as a chemical intermediate in the synthesis of flavor/aroma compounds. In industrial manufacturing, it is used as a precursor to develop other specialty chemicals. It may be employed as a fragrance additive in household cleaners and cleaning products, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4800.44
    methanol 4516.2
    isopropanol 4468.39
    water 0.76
    ethyl acetate 3089.81
    n-propanol 3943.96
    acetone 5535.82
    n-butanol 4099.77
    acetonitrile 3749.47
    DMF 4741.88
    toluene 1522.97
    isobutanol 3286.08
    1,4-dioxane 3621.67
    methyl acetate 2213.95
    THF 5697.02
    2-butanone 3259.0
    n-pentanol 2415.01
    sec-butanol 3529.39
    n-hexane 2482.66
    ethylene glycol 508.84
    NMP 3510.45
    cyclohexane 2901.28
    DMSO 3650.59
    n-butyl acetate 3898.13
    n-octanol 1560.9
    chloroform 8410.83
    n-propyl acetate 1877.55
    acetic acid 3411.66
    dichloromethane 6763.5
    cyclohexanone 5524.44
    propylene glycol 897.55
    isopropyl acetate 1828.08
    DMAc 2107.14
    2-ethoxyethanol 1486.35
    isopentanol 3247.74
    n-heptane 1354.26
    ethyl formate 1891.48
    1,2-dichloroethane 4072.13
    n-hexanol 3966.77
    2-methoxyethanol 2807.6
    isobutyl acetate 1119.29
    tetrachloromethane 1671.15
    n-pentyl acetate 1711.8
    transcutol 4908.45
    n-heptanol 1305.12
    ethylbenzene 950.34
    MIBK 1670.56
    2-propoxyethanol 2924.32
    tert-butanol 4474.44
    MTBE 3304.52
    2-butoxyethanol 1418.7
    propionic acid 2462.88
    o-xylene 789.84
    formic acid 598.38
    diethyl ether 3759.31
    m-xylene 946.13
    p-xylene 1180.08
    chlorobenzene 2464.59
    dimethyl carbonate 609.3
    n-octane 419.28
    formamide 779.68
    cyclopentanone 4659.82
    2-pentanone 3348.53
    anisole 1326.4
    cyclopentyl methyl ether 3011.96
    gamma-butyrolactone 4241.19
    1-methoxy-2-propanol 2237.72
    pyridine 4192.05
    3-pentanone 1945.44
    furfural 2908.99
    n-dodecane 245.1
    diethylene glycol 1348.3
    diisopropyl ether 1155.78
    tert-amyl alcohol 3146.27
    acetylacetone 2363.32
    n-hexadecane 282.77
    acetophenone 1150.39
    methyl propionate 1793.28
    isopentyl acetate 2839.55
    trichloroethylene 6962.58
    n-nonanol 1244.9
    cyclohexanol 3998.45
    benzyl alcohol 1116.39
    2-ethylhexanol 2204.16
    isooctanol 1008.0
    dipropyl ether 2569.19
    1,2-dichlorobenzene 1854.26
    ethyl lactate 603.34
    propylene carbonate 2409.14
    n-methylformamide 2183.61
    2-pentanol 2977.31
    n-pentane 1738.48
    1-propoxy-2-propanol 2441.0
    1-methoxy-2-propyl acetate 1697.11
    2-(2-methoxypropoxy) propanol 1101.16
    mesitylene 651.63
    ε-caprolactone 3566.45
    p-cymene 686.55
    epichlorohydrin 4040.23
    1,1,1-trichloroethane 4482.33
    2-aminoethanol 1232.57
    morpholine-4-carbaldehyde 2559.34
    sulfolane 4266.04
    2,2,4-trimethylpentane 417.66
    2-methyltetrahydrofuran 4984.94
    n-hexyl acetate 2499.7
    isooctane 402.01
    2-(2-butoxyethoxy)ethanol 1581.68
    sec-butyl acetate 1156.08
    tert-butyl acetate 1674.56
    decalin 711.31
    glycerin 891.9
    diglyme 2605.29
    acrylic acid 1795.93
    isopropyl myristate 885.84
    n-butyric acid 4568.49
    acetyl acetate 1397.89
    di(2-ethylhexyl) phthalate 616.49
    ethyl propionate 1413.03
    nitromethane 3550.72
    1,2-diethoxyethane 2416.18
    benzonitrile 2252.09
    trioctyl phosphate 529.71
    1-bromopropane 3900.28
    gamma-valerolactone 4087.2
    n-decanol 865.45
    triethyl phosphate 591.02
    4-methyl-2-pentanol 1301.11
    propionitrile 3110.67
    vinylene carbonate 2085.37
    1,1,2-trichlorotrifluoroethane 2566.06
    DMS 1098.81
    cumene 618.03
    2-octanol 1070.48
    2-hexanone 2416.19
    octyl acetate 1090.44
    limonene 1398.87
    1,2-dimethoxyethane 3267.75
    ethyl orthosilicate 619.32
    tributyl phosphate 703.56
    diacetone alcohol 1542.02
    N,N-dimethylaniline 926.72
    acrylonitrile 2960.91
    aniline 1810.27
    1,3-propanediol 1818.19
    bromobenzene 2745.97
    dibromomethane 5462.03
    1,1,2,2-tetrachloroethane 5691.9
    2-methyl-cyclohexyl acetate 1212.63
    tetrabutyl urea 889.28
    diisobutyl methanol 1048.6
    2-phenylethanol 1316.42
    styrene 1356.97
    dioctyl adipate 1031.35
    dimethyl sulfate 874.29
    ethyl butyrate 1833.59
    methyl lactate 737.91
    butyl lactate 1083.31
    diethyl carbonate 1013.3
    propanediol butyl ether 1413.33
    triethyl orthoformate 1070.85
    p-tert-butyltoluene 638.39
    methyl 4-tert-butylbenzoate 984.45
    morpholine 4920.43
    tert-butylamine 3656.39
    n-dodecanol 653.06
    dimethoxymethane 2041.3
    ethylene carbonate 1830.97
    cyrene 743.23
    2-ethoxyethyl acetate 1510.87
    2-ethylhexyl acetate 2160.46
    1,2,4-trichlorobenzene 1893.77
    4-methylpyridine 4031.81
    dibutyl ether 2308.5
    2,6-dimethyl-4-heptanol 1048.6
    DEF 3041.04
    dimethyl isosorbide 1582.38
    tetrachloroethylene 3716.0
    eugenol 950.46
    triacetin 1361.57
    span 80 1303.17
    1,4-butanediol 743.24
    1,1-dichloroethane 5349.1
    2-methyl-1-pentanol 1932.78
    methyl formate 1459.71
    2-methyl-1-butanol 2942.77
    n-decane 463.72
    butyronitrile 4689.1
    3,7-dimethyl-1-octanol 1376.71
    1-chlorooctane 1339.12
    1-chlorotetradecane 481.78
    n-nonane 545.93
    undecane 322.74
    tert-butylcyclohexane 629.52
    cyclooctane 683.88
    cyclopentanol 3591.87
    tetrahydropyran 6229.32
    tert-amyl methyl ether 2104.68
    2,5,8-trioxanonane 1623.75
    1-hexene 4084.22
    2-isopropoxyethanol 1202.51
    2,2,2-trifluoroethanol 682.23
    methyl butyrate 2359.36

    Scent© AI

1 of 3
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