Nona-2,5-dien-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    61759-51-1

    Molecular formula
    C9H14O

    SMILES
    CCCC=CC(=O)C=CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.33%
    Sweet 64.04%
    Earthy 60.52%
    Herbal 56.47%
    Green 55.73%
    Spicy 52.9%
    Metallic 52.84%
    Mushroom 51.58%
    Nutty 44.24%
    Vegetable 43.61%

     

    Flavor
    Sweet 55.65%
    Fruity 44.25%
    Spicy 41.77%
    Green 36.67%
    Herbal 33.72%
    Nutty 30.71%
    Nut 28.11%
    Fat 27.27%
    Fatty 25.55%
    Hazelnut 25.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.23 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 72.33 ˚C est.

  • Synonyms

    • Nona-2,5-dien-4-one
    • 61759-51-1
    • DTXSID20814323
    • 61759-51-1

  • Applications

    Nona-2,5-dien-4-one (CAS 61759-51-1) is primarily used as an organic synthesis intermediate and can serve as a building block for specialty aroma chemicals. In perfumery, it may function as an odorant or fragrance precursor within formulated blends, while in cosmetics and personal care it could act as a scent component subject to regulatory clearance. In industrial manufacturing, it serves as a reactive intermediate for the preparation of fine chemicals, resins, and polymer-related applications. It is also employed in coatings and inks as a chemical intermediate for downstream functionalization. Overall, its applications are driven by the dienone functionality and are highly formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3259.67
    methanol 3095.91
    isopropanol 2544.28
    water 0.5
    ethyl acetate 2165.27
    n-propanol 2400.64
    acetone 3726.84
    n-butanol 2496.91
    acetonitrile 2340.77
    DMF 3918.56
    toluene 1046.66
    isobutanol 1941.8
    1,4-dioxane 2490.31
    methyl acetate 1639.45
    THF 3979.78
    2-butanone 2243.07
    n-pentanol 1511.05
    sec-butanol 2050.91
    n-hexane 1145.43
    ethylene glycol 388.77
    NMP 2779.18
    cyclohexane 1430.48
    DMSO 2938.75
    n-butyl acetate 2462.78
    n-octanol 863.57
    chloroform 4912.24
    n-propyl acetate 1209.93
    acetic acid 2296.45
    dichloromethane 4454.25
    cyclohexanone 3563.57
    propylene glycol 633.71
    isopropyl acetate 1153.31
    DMAc 1645.48
    2-ethoxyethanol 978.75
    isopentanol 1910.96
    n-heptane 594.18
    ethyl formate 1215.93
    1,2-dichloroethane 2942.76
    n-hexanol 2488.96
    2-methoxyethanol 2054.08
    isobutyl acetate 721.9
    tetrachloromethane 902.06
    n-pentyl acetate 946.0
    transcutol 3785.27
    n-heptanol 707.46
    ethylbenzene 579.29
    MIBK 1043.11
    2-propoxyethanol 2007.74
    tert-butanol 2584.09
    MTBE 2000.53
    2-butoxyethanol 854.13
    propionic acid 1589.91
    o-xylene 515.3
    formic acid 418.65
    diethyl ether 2481.65
    m-xylene 631.33
    p-xylene 677.18
    chlorobenzene 1596.21
    dimethyl carbonate 484.29
    n-octane 190.38
    formamide 602.57
    cyclopentanone 3230.07
    2-pentanone 2211.15
    anisole 907.36
    cyclopentyl methyl ether 2118.44
    gamma-butyrolactone 2952.91
    1-methoxy-2-propanol 1597.5
    pyridine 2734.86
    3-pentanone 1360.44
    furfural 2043.87
    n-dodecane 125.65
    diethylene glycol 1027.81
    diisopropyl ether 692.09
    tert-amyl alcohol 1939.16
    acetylacetone 1633.66
    n-hexadecane 143.65
    acetophenone 785.23
    methyl propionate 1369.26
    isopentyl acetate 1769.66
    trichloroethylene 4986.98
    n-nonanol 696.66
    cyclohexanol 2285.83
    benzyl alcohol 751.16
    2-ethylhexanol 1293.82
    isooctanol 555.54
    dipropyl ether 1469.65
    1,2-dichlorobenzene 1204.8
    ethyl lactate 432.59
    propylene carbonate 1675.33
    n-methylformamide 1542.45
    2-pentanol 1770.12
    n-pentane 885.63
    1-propoxy-2-propanol 1577.92
    1-methoxy-2-propyl acetate 1220.37
    2-(2-methoxypropoxy) propanol 791.01
    mesitylene 433.65
    ε-caprolactone 2324.84
    p-cymene 399.87
    epichlorohydrin 3006.28
    1,1,1-trichloroethane 2821.42
    2-aminoethanol 882.39
    morpholine-4-carbaldehyde 1885.12
    sulfolane 3209.68
    2,2,4-trimethylpentane 228.41
    2-methyltetrahydrofuran 3415.81
    n-hexyl acetate 1463.61
    isooctane 225.84
    2-(2-butoxyethoxy)ethanol 1099.67
    sec-butyl acetate 731.85
    tert-butyl acetate 1140.38
    decalin 382.46
    glycerin 623.43
    diglyme 1834.26
    acrylic acid 1209.56
    isopropyl myristate 529.47
    n-butyric acid 2739.66
    acetyl acetate 986.61
    di(2-ethylhexyl) phthalate 404.43
    ethyl propionate 937.99
    nitromethane 2589.93
    1,2-diethoxyethane 1625.6
    benzonitrile 1333.28
    trioctyl phosphate 331.0
    1-bromopropane 2544.59
    gamma-valerolactone 2804.96
    n-decanol 503.15
    triethyl phosphate 373.17
    4-methyl-2-pentanol 755.27
    propionitrile 1880.09
    vinylene carbonate 1412.28
    1,1,2-trichlorotrifluoroethane 1823.05
    DMS 763.28
    cumene 362.95
    2-octanol 552.98
    2-hexanone 1510.55
    octyl acetate 671.12
    limonene 802.86
    1,2-dimethoxyethane 2118.3
    ethyl orthosilicate 377.15
    tributyl phosphate 428.82
    diacetone alcohol 1101.39
    N,N-dimethylaniline 603.62
    acrylonitrile 1865.97
    aniline 1248.53
    1,3-propanediol 1230.31
    bromobenzene 1784.29
    dibromomethane 3513.91
    1,1,2,2-tetrachloroethane 3814.1
    2-methyl-cyclohexyl acetate 754.97
    tetrabutyl urea 550.23
    diisobutyl methanol 599.05
    2-phenylethanol 917.22
    styrene 842.01
    dioctyl adipate 642.21
    dimethyl sulfate 705.73
    ethyl butyrate 1128.58
    methyl lactate 579.82
    butyl lactate 653.11
    diethyl carbonate 628.53
    propanediol butyl ether 923.74
    triethyl orthoformate 656.98
    p-tert-butyltoluene 378.99
    methyl 4-tert-butylbenzoate 639.1
    morpholine 3399.26
    tert-butylamine 1989.48
    n-dodecanol 383.02
    dimethoxymethane 1686.53
    ethylene carbonate 1195.99
    cyrene 547.03
    2-ethoxyethyl acetate 974.85
    2-ethylhexyl acetate 1291.3
    1,2,4-trichlorobenzene 1287.23
    4-methylpyridine 2640.41
    dibutyl ether 1254.21
    2,6-dimethyl-4-heptanol 599.05
    DEF 2170.11
    dimethyl isosorbide 1181.45
    tetrachloroethylene 2378.23
    eugenol 653.92
    triacetin 886.58
    span 80 865.59
    1,4-butanediol 476.42
    1,1-dichloroethane 3515.3
    2-methyl-1-pentanol 1203.87
    methyl formate 1031.18
    2-methyl-1-butanol 1813.09
    n-decane 225.13
    butyronitrile 2645.64
    3,7-dimethyl-1-octanol 800.3
    1-chlorooctane 718.06
    1-chlorotetradecane 268.12
    n-nonane 250.55
    undecane 165.11
    tert-butylcyclohexane 339.32
    cyclooctane 350.49
    cyclopentanol 2178.69
    tetrahydropyran 3947.08
    tert-amyl methyl ether 1280.64
    2,5,8-trioxanonane 1185.48
    1-hexene 2174.79
    2-isopropoxyethanol 757.31
    2,2,2-trifluoroethanol 445.63
    methyl butyrate 1477.9

    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