2,5,8-Nonanetrione

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  • Identifiers

    CAS number
    38284-28-5

    Molecular formula
    C9H14O3

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

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 49.92%
    Sweet 44.52%
    Buttery 40.43%
    Burnt 38.31%
    Fruity 38.24%
    Creamy 37.56%
    Fatty 35.01%
    Nutty 33.67%
    Earthy 30.15%
    Herbal 27.99%

     

    Flavor
    Sweet 74.6%
    Fruity 50.21%
    Caramel 48.63%
    Creamy 48.4%
    Butter 46.01%
    Buttery 44.16%
    Fatty 37.17%
    Cheese 35.66%
    Pungent 35.01%
    Oily 34.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    7.79 (neutral)

    Molecular weight
    170.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 125.36 ˚C est.

  • Synonyms

    • 2,5,8-Nonanetrione
    • nonane-2,5,8-trione
    • 38284-28-5
    • DTXSID70306268
    • RefChem:82680
    • DTXCID60257396
    • 2,8-Nonanetrione
    • NSC174842
    • SCHEMBL2439884
    • SCHEMBL29187674
    • NSC-174842
    • 38284-28-5

  • Applications

    2,5,8-Nonanetrione (CAS 38284-28-5) is primarily used as a chemical building block and intermediate in organic synthesis, with potential applications in fragrance technology and polymer-related formulations. In the fragrance and cosmetics sectors, it can serve as an odorant precursor or scaffold for aroma compounds and may be used as a fragrance ingredient or processing intermediate. In industrial manufacturing, it is viewed as a building block for resins, coatings, and specialty polymers, enabling crosslinking and functionalization. In coatings and inks, it can act as a reactive intermediate contributing to resin systems. It may also appear in the development of cleaning products as a fragrance-related additive or odorant precursor, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 391.75
    methanol 769.49
    isopropanol 349.9
    water 28.44
    ethyl acetate 183.0
    n-propanol 215.56
    acetone 472.3
    n-butanol 160.52
    acetonitrile 368.36
    DMF 856.74
    toluene 42.56
    isobutanol 143.1
    1,4-dioxane 347.51
    methyl acetate 325.09
    THF 409.17
    2-butanone 257.18
    n-pentanol 96.4
    sec-butanol 175.72
    n-hexane 9.46
    ethylene glycol 135.52
    NMP 467.28
    cyclohexane 6.56
    DMSO 602.48
    n-butyl acetate 69.96
    n-octanol 57.78
    chloroform 397.73
    n-propyl acetate 83.19
    acetic acid 318.47
    dichloromethane 329.67
    cyclohexanone 233.14
    propylene glycol 157.66
    isopropyl acetate 105.8
    DMAc 894.91
    2-ethoxyethanol 260.18
    isopentanol 121.21
    n-heptane 4.99
    ethyl formate 241.84
    1,2-dichloroethane 161.38
    n-hexanol 72.82
    2-methoxyethanol 573.06
    isobutyl acetate 52.04
    tetrachloromethane 44.8
    n-pentyl acetate 57.11
    transcutol 352.48
    n-heptanol 40.71
    ethylbenzene 40.16
    MIBK 79.8
    2-propoxyethanol 191.14
    tert-butanol 335.08
    MTBE 140.22
    2-butoxyethanol 111.03
    propionic acid 241.12
    o-xylene 43.02
    formic acid 261.36
    diethyl ether 106.62
    m-xylene 31.9
    p-xylene 63.97
    chlorobenzene 67.36
    dimethyl carbonate 85.91
    n-octane 4.43
    formamide 410.23
    cyclopentanone 320.59
    2-pentanone 146.07
    anisole 121.12
    cyclopentyl methyl ether 104.36
    gamma-butyrolactone 433.95
    1-methoxy-2-propanol 364.02
    pyridine 200.62
    3-pentanone 96.89
    furfural 423.2
    n-dodecane 5.45
    diethylene glycol 195.92
    diisopropyl ether 22.55
    tert-amyl alcohol 186.93
    acetylacetone 197.99
    n-hexadecane 5.93
    acetophenone 125.86
    methyl propionate 162.64
    isopentyl acetate 67.85
    trichloroethylene 302.39
    n-nonanol 50.67
    cyclohexanol 104.13
    benzyl alcohol 124.03
    2-ethylhexanol 39.55
    isooctanol 33.9
    dipropyl ether 41.82
    1,2-dichlorobenzene 70.75
    ethyl lactate 76.26
    propylene carbonate 222.05
    n-methylformamide 509.27
    2-pentanol 90.18
    n-pentane 5.93
    1-propoxy-2-propanol 122.65
    1-methoxy-2-propyl acetate 101.3
    2-(2-methoxypropoxy) propanol 120.93
    mesitylene 20.03
    ε-caprolactone 224.2
    p-cymene 22.22
    epichlorohydrin 352.42
    1,1,1-trichloroethane 161.01
    2-aminoethanol 217.48
    morpholine-4-carbaldehyde 530.77
    sulfolane 393.18
    2,2,4-trimethylpentane 4.73
    2-methyltetrahydrofuran 218.77
    n-hexyl acetate 91.68
    isooctane 3.0
    2-(2-butoxyethoxy)ethanol 144.27
    sec-butyl acetate 57.99
    tert-butyl acetate 97.35
    decalin 8.4
    glycerin 222.16
    diglyme 277.7
    acrylic acid 205.52
    isopropyl myristate 39.52
    n-butyric acid 226.55
    acetyl acetate 124.65
    di(2-ethylhexyl) phthalate 44.08
    ethyl propionate 87.03
    nitromethane 676.39
    1,2-diethoxyethane 103.57
    benzonitrile 132.99
    trioctyl phosphate 30.14
    1-bromopropane 88.29
    gamma-valerolactone 539.2
    n-decanol 36.91
    triethyl phosphate 45.72
    4-methyl-2-pentanol 50.26
    propionitrile 203.73
    vinylene carbonate 211.76
    1,1,2-trichlorotrifluoroethane 310.69
    DMS 101.05
    cumene 31.16
    2-octanol 35.52
    2-hexanone 97.86
    octyl acetate 51.12
    limonene 27.95
    1,2-dimethoxyethane 437.04
    ethyl orthosilicate 43.49
    tributyl phosphate 40.68
    diacetone alcohol 167.86
    N,N-dimethylaniline 95.67
    acrylonitrile 271.25
    aniline 100.03
    1,3-propanediol 276.19
    bromobenzene 58.3
    dibromomethane 189.57
    1,1,2,2-tetrachloroethane 275.47
    2-methyl-cyclohexyl acetate 58.43
    tetrabutyl urea 60.05
    diisobutyl methanol 29.09
    2-phenylethanol 79.51
    styrene 49.27
    dioctyl adipate 61.92
    dimethyl sulfate 176.37
    ethyl butyrate 63.42
    methyl lactate 137.98
    butyl lactate 66.52
    diethyl carbonate 55.7
    propanediol butyl ether 131.49
    triethyl orthoformate 51.95
    p-tert-butyltoluene 22.75
    methyl 4-tert-butylbenzoate 95.08
    morpholine 392.28
    tert-butylamine 151.52
    n-dodecanol 28.68
    dimethoxymethane 281.48
    ethylene carbonate 171.24
    cyrene 126.01
    2-ethoxyethyl acetate 93.92
    2-ethylhexyl acetate 49.98
    1,2,4-trichlorobenzene 89.83
    4-methylpyridine 239.4
    dibutyl ether 60.35
    2,6-dimethyl-4-heptanol 29.09
    DEF 205.83
    dimethyl isosorbide 181.27
    tetrachloroethylene 145.41
    eugenol 102.92
    triacetin 122.22
    span 80 92.69
    1,4-butanediol 103.18
    1,1-dichloroethane 218.5
    2-methyl-1-pentanol 72.33
    methyl formate 374.08
    2-methyl-1-butanol 99.24
    n-decane 8.59
    butyronitrile 182.27
    3,7-dimethyl-1-octanol 51.6
    1-chlorooctane 31.33
    1-chlorotetradecane 13.68
    n-nonane 8.06
    undecane 6.55
    tert-butylcyclohexane 9.38
    cyclooctane 2.51
    cyclopentanol 156.14
    tetrahydropyran 171.01
    tert-amyl methyl ether 89.23
    2,5,8-trioxanonane 196.85
    1-hexene 38.05
    2-isopropoxyethanol 149.76
    2,2,2-trifluoroethanol 182.23
    methyl butyrate 137.31

    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