1-Nonen-4-one

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  • Identifiers

    CAS number
    61168-10-3

    Molecular formula
    C9H16O

    SMILES
    CCCCCC(=O)CC=C

    Safety labels

  • Odor profile

    Fragrance
    Green 68.01%
    Fruity 56.68%
    Earthy 50.75%
    Mushroom 48.27%
    Metallic 48.15%
    Cheesy 43.13%
    Fatty 41.48%
    Herbal 41.42%
    Vegetable 34.56%
    Dairy 27.42%

     

    Flavor
    Herbal 36.54%
    Fruity 35.24%
    Mushroom 32.87%
    Earthy 27.88%
    Oily 24.44%
    Spicy 24.31%
    Cheese 24.29%
    Green 23.69%
    Fishy 22.87%
    Fatty 22.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.08 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    190°C

    Flash point

    • 59.02 ˚C est.

  • Synonyms

    • non-1-en-4-one
    • 1-nonen-4-one
    • DTXSID90423860
    • RefChem:76640
    • DTXCID60374698
    • WDBHYTAEQAWRCQ-UHFFFAOYSA-N
    • 61168-10-3
    • L3JF6BS9DH
    • SCHEMBL176299
    • SCHEMBL196026
    • SCHEMBL196027
    • SCHEMBL4319619
    • SCHEMBL28044560
    • CHEBI:195697
    • 61168-10-3

  • Applications

    1-Nonen-4-one (CAS 61168-10-3) is primarily used as an intermediate in the synthesis of aroma chemicals and other specialty compounds. In perfumery and cosmetics, it may function as a fragrance ingredient or odorant component, contributing to specific notes in formulations. It is also employed in household products as a fragrance additive for air fresheners and cleaners. In industrial manufacturing, it serves as a reactive feedstock for further transformations to access more complex intermediates, and its enone functionality supports various carbon–carbon bond-forming steps in synthetic routes. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2871.65
    methanol 2877.82
    isopropanol 2307.34
    water 0.43
    ethyl acetate 1749.32
    n-propanol 2226.68
    acetone 2724.15
    n-butanol 2244.76
    acetonitrile 1496.0
    DMF 1917.64
    toluene 659.64
    isobutanol 1695.4
    1,4-dioxane 2190.11
    methyl acetate 1246.31
    THF 3283.34
    2-butanone 1781.51
    n-pentanol 1478.69
    sec-butanol 1886.88
    n-hexane 1022.99
    ethylene glycol 278.21
    NMP 1510.93
    cyclohexane 1066.99
    DMSO 1933.38
    n-butyl acetate 2229.92
    n-octanol 804.1
    chloroform 3308.99
    n-propyl acetate 1096.72
    acetic acid 1663.24
    dichloromethane 2642.34
    cyclohexanone 2779.47
    propylene glycol 525.25
    isopropyl acetate 1020.93
    DMAc 1094.41
    2-ethoxyethanol 1001.21
    isopentanol 1795.97
    n-heptane 573.24
    ethyl formate 940.05
    1,2-dichloroethane 1668.65
    n-hexanol 2399.96
    2-methoxyethanol 1708.35
    isobutyl acetate 682.55
    tetrachloromethane 599.5
    n-pentyl acetate 941.92
    transcutol 4000.26
    n-heptanol 685.79
    ethylbenzene 440.37
    MIBK 914.23
    2-propoxyethanol 1973.78
    tert-butanol 2393.18
    MTBE 1791.99
    2-butoxyethanol 841.53
    propionic acid 1268.07
    o-xylene 409.18
    formic acid 305.25
    diethyl ether 2162.78
    m-xylene 462.7
    p-xylene 547.05
    chlorobenzene 997.94
    dimethyl carbonate 247.74
    n-octane 165.31
    formamide 352.53
    cyclopentanone 2240.54
    2-pentanone 1715.51
    anisole 672.71
    cyclopentyl methyl ether 1667.23
    gamma-butyrolactone 1921.19
    1-methoxy-2-propanol 1338.65
    pyridine 1848.34
    3-pentanone 1004.79
    furfural 1389.61
    n-dodecane 95.51
    diethylene glycol 907.71
    diisopropyl ether 625.2
    tert-amyl alcohol 1744.74
    acetylacetone 1234.42
    n-hexadecane 110.57
    acetophenone 597.75
    methyl propionate 922.17
    isopentyl acetate 1687.92
    trichloroethylene 2916.88
    n-nonanol 652.61
    cyclohexanol 1978.15
    benzyl alcohol 590.57
    2-ethylhexanol 1258.86
    isooctanol 532.64
    dipropyl ether 1475.64
    1,2-dichlorobenzene 775.79
    ethyl lactate 344.95
    propylene carbonate 1144.13
    n-methylformamide 864.71
    2-pentanol 1544.56
    n-pentane 658.45
    1-propoxy-2-propanol 1628.32
    1-methoxy-2-propyl acetate 1142.21
    2-(2-methoxypropoxy) propanol 777.72
    mesitylene 318.34
    ε-caprolactone 1887.47
    p-cymene 356.4
    epichlorohydrin 1981.27
    1,1,1-trichloroethane 1843.64
    2-aminoethanol 716.57
    morpholine-4-carbaldehyde 1356.41
    sulfolane 1897.18
    2,2,4-trimethylpentane 188.86
    2-methyltetrahydrofuran 2779.03
    n-hexyl acetate 1346.89
    isooctane 175.92
    2-(2-butoxyethoxy)ethanol 1092.54
    sec-butyl acetate 693.06
    tert-butyl acetate 997.45
    decalin 290.92
    glycerin 529.13
    diglyme 1750.95
    acrylic acid 824.49
    isopropyl myristate 464.47
    n-butyric acid 2338.67
    acetyl acetate 763.66
    di(2-ethylhexyl) phthalate 359.79
    ethyl propionate 772.18
    nitromethane 1755.34
    1,2-diethoxyethane 1601.11
    benzonitrile 1024.29
    trioctyl phosphate 286.4
    1-bromopropane 1672.58
    gamma-valerolactone 2174.16
    n-decanol 456.0
    triethyl phosphate 340.05
    4-methyl-2-pentanol 725.8
    propionitrile 1399.3
    vinylene carbonate 937.15
    1,1,2-trichlorotrifluoroethane 1240.23
    DMS 620.3
    cumene 306.36
    2-octanol 535.61
    2-hexanone 1362.26
    octyl acetate 567.82
    limonene 726.93
    1,2-dimethoxyethane 1950.81
    ethyl orthosilicate 360.43
    tributyl phosphate 392.47
    diacetone alcohol 905.04
    N,N-dimethylaniline 460.19
    acrylonitrile 1261.64
    aniline 830.59
    1,3-propanediol 1090.84
    bromobenzene 1060.84
    dibromomethane 2153.34
    1,1,2,2-tetrachloroethane 2324.47
    2-methyl-cyclohexyl acetate 732.44
    tetrabutyl urea 480.08
    diisobutyl methanol 582.33
    2-phenylethanol 787.92
    styrene 609.88
    dioctyl adipate 576.11
    dimethyl sulfate 367.99
    ethyl butyrate 1110.08
    methyl lactate 386.56
    butyl lactate 631.9
    diethyl carbonate 573.9
    propanediol butyl ether 834.41
    triethyl orthoformate 675.55
    p-tert-butyltoluene 331.78
    methyl 4-tert-butylbenzoate 529.92
    morpholine 2683.21
    tert-butylamine 1732.05
    n-dodecanol 339.97
    dimethoxymethane 990.4
    ethylene carbonate 890.35
    cyrene 492.16
    2-ethoxyethyl acetate 912.02
    2-ethylhexyl acetate 1239.83
    1,2,4-trichlorobenzene 838.21
    4-methylpyridine 1812.01
    dibutyl ether 1261.51
    2,6-dimethyl-4-heptanol 582.33
    DEF 1478.7
    dimethyl isosorbide 1078.19
    tetrachloroethylene 1557.93
    eugenol 534.03
    triacetin 801.62
    span 80 822.63
    1,4-butanediol 429.77
    1,1-dichloroethane 2148.82
    2-methyl-1-pentanol 1184.51
    methyl formate 574.53
    2-methyl-1-butanol 1545.26
    n-decane 186.47
    butyronitrile 2034.33
    3,7-dimethyl-1-octanol 752.87
    1-chlorooctane 591.6
    1-chlorotetradecane 205.58
    n-nonane 213.9
    undecane 128.02
    tert-butylcyclohexane 272.44
    cyclooctane 265.26
    cyclopentanol 1732.82
    tetrahydropyran 3448.25
    tert-amyl methyl ether 1118.98
    2,5,8-trioxanonane 1143.02
    1-hexene 1966.73
    2-isopropoxyethanol 817.34
    2,2,2-trifluoroethanol 300.43
    methyl butyrate 1234.33

    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