8-Nonene-2,5-dione

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  • Identifiers

    CAS number
    5312-86-7

    Molecular formula
    C9H14O2

    SMILES
    CC(=O)CCC(=O)CCC=C

    Safety labels

  • Odor profile

    Fragrance
    Green 46.03%
    Earthy 44.09%
    Metallic 43.59%
    Fruity 41.41%
    Mushroom 37.21%
    Herbal 35.31%
    Burnt 33.52%
    Caramellic 32.45%
    Cheesy 29.55%
    Meaty 29.22%

     

    Flavor
    Fruity 37.38%
    Sweet 32.96%
    Cheese 29.92%
    Butter 27.96%
    Oily 26.44%
    Pungent 24.91%
    Caramel 24.86%
    Buttery 24.42%
    Mushroom 22.62%
    Creamy 22.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.23 (weak base)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 96.21 ˚C est.

  • Synonyms

    • 8-Nonene-2,5-dione
    • 5312-86-7
    • DTXSID50446712
    • RefChem:312247
    • DTXCID50397533
    • Non-8-ene-2,5-dione
    • SCHEMBL11806713
    • 5312-86-7

  • Applications

    8-Nonene-2,5-dione is primarily an industrial intermediate used for the synthesis of more specialized chemicals, serving as a building block for polymers and specialty plastics; it is employed as a precursor in the production of coatings, inks, and resins where the diketone functionality can participate in crosslinking or condensation reactions; in fragrance and flavor applications, it may be considered as an odorant component or aroma precursor; it is also evaluated as an intermediate in pharmaceutical synthesis, providing a versatile scaffold for subsequent transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 516.33
    methanol 769.41
    isopropanol 432.26
    water 5.9
    ethyl acetate 183.35
    n-propanol 324.63
    acetone 342.89
    n-butanol 297.75
    acetonitrile 282.21
    DMF 635.22
    toluene 72.05
    isobutanol 247.53
    1,4-dioxane 353.13
    methyl acetate 267.89
    THF 358.19
    2-butanone 276.96
    n-pentanol 199.5
    sec-butanol 299.49
    n-hexane 24.75
    ethylene glycol 135.19
    NMP 355.56
    cyclohexane 17.87
    DMSO 469.05
    n-butyl acetate 121.19
    n-octanol 102.12
    chloroform 413.74
    n-propyl acetate 108.72
    acetic acid 301.94
    dichloromethane 311.35
    cyclohexanone 272.46
    propylene glycol 206.86
    isopropyl acetate 115.95
    DMAc 672.77
    2-ethoxyethanol 304.94
    isopentanol 230.29
    n-heptane 12.82
    ethyl formate 168.14
    1,2-dichloroethane 166.12
    n-hexanol 190.04
    2-methoxyethanol 533.11
    isobutyl acetate 82.01
    tetrachloromethane 52.72
    n-pentyl acetate 84.63
    transcutol 714.76
    n-heptanol 81.19
    ethylbenzene 70.58
    MIBK 120.67
    2-propoxyethanol 296.93
    tert-butanol 402.28
    MTBE 205.93
    2-butoxyethanol 157.48
    propionic acid 263.77
    o-xylene 73.09
    formic acid 141.28
    diethyl ether 147.89
    m-xylene 65.09
    p-xylene 97.15
    chlorobenzene 101.65
    dimethyl carbonate 66.56
    n-octane 7.67
    formamide 162.43
    cyclopentanone 286.77
    2-pentanone 172.05
    anisole 159.78
    cyclopentyl methyl ether 144.58
    gamma-butyrolactone 312.13
    1-methoxy-2-propanol 362.83
    pyridine 228.53
    3-pentanone 130.39
    furfural 314.26
    n-dodecane 8.66
    diethylene glycol 270.72
    diisopropyl ether 41.66
    tert-amyl alcohol 291.76
    acetylacetone 187.35
    n-hexadecane 9.52
    acetophenone 152.83
    methyl propionate 149.69
    isopentyl acetate 123.16
    trichloroethylene 329.92
    n-nonanol 88.17
    cyclohexanol 189.17
    benzyl alcohol 159.71
    2-ethylhexanol 104.62
    isooctanol 68.34
    dipropyl ether 76.16
    1,2-dichlorobenzene 103.22
    ethyl lactate 86.7
    propylene carbonate 180.79
    n-methylformamide 290.23
    2-pentanol 184.82
    n-pentane 15.65
    1-propoxy-2-propanol 201.83
    1-methoxy-2-propyl acetate 141.46
    2-(2-methoxypropoxy) propanol 191.54
    mesitylene 42.52
    ε-caprolactone 232.17
    p-cymene 43.22
    epichlorohydrin 283.73
    1,1,1-trichloroethane 186.4
    2-aminoethanol 258.07
    morpholine-4-carbaldehyde 420.49
    sulfolane 305.98
    2,2,4-trimethylpentane 13.63
    2-methyltetrahydrofuran 262.68
    n-hexyl acetate 146.82
    isooctane 9.42
    2-(2-butoxyethoxy)ethanol 239.18
    sec-butyl acetate 85.55
    tert-butyl acetate 126.67
    decalin 20.66
    glycerin 230.88
    diglyme 379.56
    acrylic acid 206.19
    isopropyl myristate 60.1
    n-butyric acid 287.56
    acetyl acetate 124.28
    di(2-ethylhexyl) phthalate 69.08
    ethyl propionate 102.12
    nitromethane 376.47
    1,2-diethoxyethane 182.66
    benzonitrile 171.46
    trioctyl phosphate 47.57
    1-bromopropane 128.46
    gamma-valerolactone 378.44
    n-decanol 64.71
    triethyl phosphate 61.68
    4-methyl-2-pentanol 105.18
    propionitrile 214.24
    vinylene carbonate 184.3
    1,1,2-trichlorotrifluoroethane 277.91
    DMS 123.71
    cumene 55.39
    2-octanol 62.8
    2-hexanone 142.28
    octyl acetate 74.98
    limonene 62.01
    1,2-dimethoxyethane 425.24
    ethyl orthosilicate 61.38
    tributyl phosphate 63.15
    diacetone alcohol 201.48
    N,N-dimethylaniline 127.32
    acrylonitrile 259.04
    aniline 137.57
    1,3-propanediol 322.91
    bromobenzene 92.5
    dibromomethane 204.97
    1,1,2,2-tetrachloroethane 298.84
    2-methyl-cyclohexyl acetate 93.38
    tetrabutyl urea 84.38
    diisobutyl methanol 62.72
    2-phenylethanol 127.0
    styrene 87.23
    dioctyl adipate 92.91
    dimethyl sulfate 121.68
    ethyl butyrate 97.32
    methyl lactate 125.4
    butyl lactate 95.82
    diethyl carbonate 75.38
    propanediol butyl ether 204.12
    triethyl orthoformate 75.37
    p-tert-butyltoluene 41.63
    methyl 4-tert-butylbenzoate 127.62
    morpholine 416.99
    tert-butylamine 214.5
    n-dodecanol 49.54
    dimethoxymethane 220.61
    ethylene carbonate 146.96
    cyrene 149.17
    2-ethoxyethyl acetate 132.06
    2-ethylhexyl acetate 92.87
    1,2,4-trichlorobenzene 129.93
    4-methylpyridine 276.75
    dibutyl ether 100.4
    2,6-dimethyl-4-heptanol 62.72
    DEF 239.0
    dimethyl isosorbide 234.16
    tetrachloroethylene 178.81
    eugenol 140.04
    triacetin 167.98
    span 80 154.65
    1,4-butanediol 137.41
    1,1-dichloroethane 223.21
    2-methyl-1-pentanol 170.07
    methyl formate 190.11
    2-methyl-1-butanol 209.7
    n-decane 13.88
    butyronitrile 217.23
    3,7-dimethyl-1-octanol 104.41
    1-chlorooctane 52.51
    1-chlorotetradecane 23.47
    n-nonane 12.81
    undecane 10.68
    tert-butylcyclohexane 22.64
    cyclooctane 6.85
    cyclopentanol 202.91
    tetrahydropyran 239.7
    tert-amyl methyl ether 151.92
    2,5,8-trioxanonane 277.23
    1-hexene 97.89
    2-isopropoxyethanol 203.62
    2,2,2-trifluoroethanol 115.62
    methyl butyrate 150.35

    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