9-Oxononanoic acid

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  • Identifiers

    CAS number
    2553-17-5

    Molecular formula
    C9H16O3

    SMILES
    C(CCCC=O)CCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 64.09%
    Cheesy 44.74%
    Fruity 41.31%
    Waxy 40.73%
    Dairy 37.07%
    Milky 35.37%
    Buttery 33.88%
    Sour 31.75%
    Citrus 31.21%
    Creamy 29.28%

     

    Flavor
    Fatty 59.86%
    Waxy 55.86%
    Cheese 48.22%
    Green 42.02%
    Rancid 41.39%
    Oily 40.45%
    Fruity 39.15%
    Sour 37.8%
    Sweat 36.9%
    Fat 33.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.78 (neutral)

    Molecular weight
    172.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 151.49 ˚C est.

  • Synonyms

    • 9-Oxononanoic acid
    • 2553-17-5
    • 9-Ketononanoic acid
    • Nonanoic acid, 9-oxo-
    • YH3Q8RSX3Z
    • DTXSID30180228
    • CHEBI:78700
    • RefChem:914794
    • DTXCID40102719
    • 9-oxo-nonanoic acid
    • MFCD05864080
    • 8-formyloctanoic acid
    • 9-OxononanoicAcid
    • Azelaaldehydic Acid; Azelaic Semialdehyde; Nonanal-9-oic Acid; ?-Oxononanoic Acid;
    • WLGDDELKYAWBBL-UHFFFAOYSA-N
    • UNII-YH3Q8RSX3Z
    • AZELAALDEHYDIC ACID
    • NONANAL-9-OIC ACID
    • orb1693404
    • SCHEMBL1603841
    • SCHEMBL7292218
    • .OMEGA.-OXONONANOIC ACID
    • FA 9:1+1O
    • LMFA01060160
    • AKOS006239261
    • EBC-616266
    • HY-W612338
    • AC-33586
    • BS-16263
    • PD131330
    • SY253223
    • DB-220110
    • CS-0696357
    • NS00126346
    • C74321
    • EN300-220107
    • Q27147919
    • 2553-17-5

  • Applications

    9-Oxononanoic acid, CAS 2553-17-5, is commonly regarded as a versatile intermediate for organic synthesis and specialty chemicals. In industrial manufacturing, it serves as a building block for the preparation of more complex compounds and functional carboxylic derivatives. In polymers and plastics, it can act as a precursor or co-monomer for polyesters and polyamides, or as a chain-extender or functionalizing agent to tailor resin properties. In coatings and inks, it may be used as a precursor to functional resins and additives that enhance adhesion, chemical resistance, and formulation stability. Additionally, it is evaluated as a pharmaceutical synthesis intermediate for drug-like compounds and related specialties, and may be considered as a potential fragrance chemistry precursor for perfumery/fragrance applications, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 528.01
    methanol 956.44
    isopropanol 238.03
    water 0.96
    ethyl acetate 131.07
    n-propanol 243.79
    acetone 348.47
    n-butanol 198.29
    acetonitrile 59.51
    DMF 879.04
    toluene 22.18
    isobutanol 158.51
    1,4-dioxane 167.84
    methyl acetate 84.45
    THF 632.56
    2-butanone 153.57
    n-pentanol 156.24
    sec-butanol 133.8
    n-hexane 11.21
    ethylene glycol 181.7
    NMP 665.05
    cyclohexane 5.96
    DMSO 1977.0
    n-butyl acetate 151.37
    n-octanol 51.12
    chloroform 70.7
    n-propyl acetate 122.69
    acetic acid 413.53
    dichloromethane 79.93
    cyclohexanone 315.21
    propylene glycol 213.37
    isopropyl acetate 106.44
    DMAc 441.35
    2-ethoxyethanol 320.49
    isopentanol 187.63
    n-heptane 4.27
    ethyl formate 100.2
    1,2-dichloroethane 108.33
    n-hexanol 133.95
    2-methoxyethanol 640.89
    isobutyl acetate 86.4
    tetrachloromethane 14.3
    n-pentyl acetate 77.78
    transcutol 1119.9
    n-heptanol 53.96
    ethylbenzene 25.51
    MIBK 141.13
    2-propoxyethanol 306.81
    tert-butanol 298.15
    MTBE 100.25
    2-butoxyethanol 150.81
    propionic acid 230.87
    o-xylene 29.42
    formic acid 281.81
    diethyl ether 62.81
    m-xylene 31.57
    p-xylene 33.48
    chlorobenzene 43.13
    dimethyl carbonate 52.52
    n-octane 1.9
    formamide 384.62
    cyclopentanone 511.91
    2-pentanone 194.99
    anisole 80.87
    cyclopentyl methyl ether 212.94
    gamma-butyrolactone 547.56
    1-methoxy-2-propanol 455.6
    pyridine 128.46
    3-pentanone 87.79
    furfural 394.4
    n-dodecane 1.77
    diethylene glycol 299.58
    diisopropyl ether 28.69
    tert-amyl alcohol 191.46
    acetylacetone 256.14
    n-hexadecane 2.02
    acetophenone 105.37
    methyl propionate 116.13
    isopentyl acetate 149.79
    trichloroethylene 180.65
    n-nonanol 44.81
    cyclohexanol 144.21
    benzyl alcohol 101.41
    2-ethylhexanol 71.39
    isooctanol 45.93
    dipropyl ether 57.13
    1,2-dichlorobenzene 54.38
    ethyl lactate 88.81
    propylene carbonate 234.82
    n-methylformamide 388.86
    2-pentanol 108.47
    n-pentane 4.05
    1-propoxy-2-propanol 215.48
    1-methoxy-2-propyl acetate 168.66
    2-(2-methoxypropoxy) propanol 180.43
    mesitylene 25.65
    ε-caprolactone 262.05
    p-cymene 21.1
    epichlorohydrin 386.32
    1,1,1-trichloroethane 59.57
    2-aminoethanol 344.07
    morpholine-4-carbaldehyde 436.17
    sulfolane 935.14
    2,2,4-trimethylpentane 5.02
    2-methyltetrahydrofuran 301.51
    n-hexyl acetate 114.47
    isooctane 4.56
    2-(2-butoxyethoxy)ethanol 270.4
    sec-butyl acetate 80.74
    tert-butyl acetate 156.88
    decalin 7.83
    glycerin 333.62
    diglyme 445.13
    acrylic acid 208.56
    isopropyl myristate 38.86
    n-butyric acid 300.15
    acetyl acetate 82.5
    di(2-ethylhexyl) phthalate 54.31
    ethyl propionate 96.08
    nitromethane 464.35
    1,2-diethoxyethane 145.53
    benzonitrile 83.37
    trioctyl phosphate 38.27
    1-bromopropane 39.52
    gamma-valerolactone 567.66
    n-decanol 31.33
    triethyl phosphate 51.91
    4-methyl-2-pentanol 75.02
    propionitrile 67.54
    vinylene carbonate 165.2
    1,1,2-trichlorotrifluoroethane 350.61
    DMS 88.85
    cumene 24.33
    2-octanol 33.59
    2-hexanone 149.07
    octyl acetate 51.38
    limonene 32.69
    1,2-dimethoxyethane 379.58
    ethyl orthosilicate 48.58
    tributyl phosphate 53.81
    diacetone alcohol 285.21
    N,N-dimethylaniline 69.29
    acrylonitrile 109.68
    aniline 72.33
    1,3-propanediol 377.85
    bromobenzene 36.29
    dibromomethane 52.45
    1,1,2,2-tetrachloroethane 170.86
    2-methyl-cyclohexyl acetate 92.71
    tetrabutyl urea 75.2
    diisobutyl methanol 42.88
    2-phenylethanol 92.63
    styrene 28.97
    dioctyl adipate 81.04
    dimethyl sulfate 156.15
    ethyl butyrate 93.35
    methyl lactate 136.91
    butyl lactate 107.38
    diethyl carbonate 59.19
    propanediol butyl ether 209.97
    triethyl orthoformate 69.52
    p-tert-butyltoluene 21.25
    methyl 4-tert-butylbenzoate 108.31
    morpholine 329.33
    tert-butylamine 125.64
    n-dodecanol 22.0
    dimethoxymethane 276.16
    ethylene carbonate 129.26
    cyrene 169.94
    2-ethoxyethyl acetate 124.88
    2-ethylhexyl acetate 98.49
    1,2,4-trichlorobenzene 70.8
    4-methylpyridine 127.13
    dibutyl ether 50.17
    2,6-dimethyl-4-heptanol 42.88
    DEF 231.01
    dimethyl isosorbide 274.63
    tetrachloroethylene 119.31
    eugenol 118.63
    triacetin 135.74
    span 80 152.3
    1,4-butanediol 147.47
    1,1-dichloroethane 57.6
    2-methyl-1-pentanol 138.52
    methyl formate 192.97
    2-methyl-1-butanol 148.09
    n-decane 2.9
    butyronitrile 93.22
    3,7-dimethyl-1-octanol 58.59
    1-chlorooctane 18.22
    1-chlorotetradecane 7.1
    n-nonane 2.68
    undecane 2.18
    tert-butylcyclohexane 8.42
    cyclooctane 2.49
    cyclopentanol 227.02
    tetrahydropyran 169.07
    tert-amyl methyl ether 86.56
    2,5,8-trioxanonane 301.55
    1-hexene 46.39
    2-isopropoxyethanol 208.94
    2,2,2-trifluoroethanol 106.01
    methyl butyrate 153.26

    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