Methyl 9-oxononanoate

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  • Identifiers

    CAS number
    1931-63-1

    Molecular formula
    C10H18O3

    SMILES
    COC(=O)CCCCCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 76.18%
    Fatty 54.27%
    Waxy 50.24%
    Sweet 48.29%
    Green 42.24%
    Fresh 39.11%
    Pineapple 37.21%
    Oily 35.45%
    Floral 35.28%
    Citrus 35.16%

     

    Flavor
    Fruity 70.25%
    Waxy 67.32%
    Green 59.88%
    Sweet 51.4%
    Fresh 44.8%
    Floral 41.95%
    Fatty 40.33%
    Tropical 36.01%
    Pear 33.38%
    Apple 33.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.34 (neutral)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    259°C

    Flash point

    • 113.49 ˚C est.

  • Synonyms

    • Methyl 9-oxononanoate
    • RefChem:1089530
    • 1931-63-1
    • 9-OXO-NONANOIC ACID METHYL ESTER
    • Nonanoic acid, 9-oxo-,methyl ester
    • Methyl azelaaldehydate
    • Methyl 8-formyloctanoate
    • NONANOIC ACID, 9-OXO-, METHYL ESTER
    • Azelaaldehydic acid, methyl ester
    • 9-Oxononanoic acid methyl ester
    • MFCD09031979
    • Methyl 9-Oxononanoate (90%)
    • Methyl 9-Oxononanoate (90per cent)
    • Methyl9-oxononanoate
    • methyl 9-oxononanate
    • 8-carbomethoxyoctanal
    • Methyl azelaaldehydrate
    • AI3-25458
    • SCHEMBL436881
    • SCHEMBL7282104
    • Azelaaldehydic Acid Methyl Ester
    • 8-METHOXYCARBONYL OCTANAL
    • DTXSID00172913
    • Methyl 9-Oxononanoate (>90%)
    • CHEBI:177721
    • BAA93163
    • NSC53771
    • NSC 53771
    • NSC-53771
    • AKOS005167179
    • s10595
    • SY253222
    • DB-352139
    • NS00096129
    • Q63409104
    • 1931-63-1

  • Applications

    Methyl 9-oxononanoate (CAS 1931-63-1) is used as an intermediate in organic synthesis across several industries, notably fragrance and flavor chemistry, cosmetics/personal care, and cleaning/household products where it can serve as a fragrance component or solvent; it also serves as a building block or reactive intermediate in industrial manufacturing and in polymer/plastics chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 603.36
    methanol 1037.35
    isopropanol 341.38
    water 0.17
    ethyl acetate 594.47
    n-propanol 316.41
    acetone 1090.9
    n-butanol 270.13
    acetonitrile 612.9
    DMF 1061.86
    toluene 190.32
    isobutanol 210.87
    1,4-dioxane 782.0
    methyl acetate 448.34
    THF 1266.93
    2-butanone 595.15
    n-pentanol 221.32
    sec-butanol 238.77
    n-hexane 19.4
    ethylene glycol 85.14
    NMP 911.38
    cyclohexane 35.46
    DMSO 2520.5
    n-butyl acetate 369.62
    n-octanol 67.06
    chloroform 1189.42
    n-propyl acetate 395.78
    acetic acid 803.62
    dichloromethane 1455.4
    cyclohexanone 967.14
    propylene glycol 132.28
    isopropyl acetate 324.26
    DMAc 737.89
    2-ethoxyethanol 494.21
    isopentanol 260.14
    n-heptane 8.43
    ethyl formate 361.81
    1,2-dichloroethane 968.8
    n-hexanol 164.73
    2-methoxyethanol 868.31
    isobutyl acetate 221.6
    tetrachloromethane 118.32
    n-pentyl acetate 182.25
    transcutol 1879.93
    n-heptanol 58.8
    ethylbenzene 105.54
    MIBK 294.56
    2-propoxyethanol 392.37
    tert-butanol 461.9
    MTBE 320.88
    2-butoxyethanol 201.96
    propionic acid 407.76
    o-xylene 126.13
    formic acid 292.06
    diethyl ether 367.96
    m-xylene 123.15
    p-xylene 137.39
    chlorobenzene 349.01
    dimethyl carbonate 131.1
    n-octane 3.8
    formamide 511.72
    cyclopentanone 1198.68
    2-pentanone 505.01
    anisole 272.26
    cyclopentyl methyl ether 469.84
    gamma-butyrolactone 1274.37
    1-methoxy-2-propanol 528.81
    pyridine 815.64
    3-pentanone 293.33
    furfural 1056.37
    n-dodecane 3.66
    diethylene glycol 331.3
    diisopropyl ether 76.58
    tert-amyl alcohol 322.37
    acetylacetone 677.93
    n-hexadecane 4.4
    acetophenone 297.54
    methyl propionate 358.22
    isopentyl acetate 305.2
    trichloroethylene 1736.22
    n-nonanol 58.37
    cyclohexanol 288.19
    benzyl alcohol 250.19
    2-ethylhexanol 104.57
    isooctanol 55.53
    dipropyl ether 134.32
    1,2-dichlorobenzene 325.49
    ethyl lactate 152.31
    propylene carbonate 539.64
    n-methylformamide 594.9
    2-pentanol 165.28
    n-pentane 11.59
    1-propoxy-2-propanol 275.77
    1-methoxy-2-propyl acetate 329.25
    2-(2-methoxypropoxy) propanol 251.61
    mesitylene 76.05
    ε-caprolactone 710.37
    p-cymene 56.59
    epichlorohydrin 1346.67
    1,1,1-trichloroethane 638.72
    2-aminoethanol 218.37
    morpholine-4-carbaldehyde 804.02
    sulfolane 1553.18
    2,2,4-trimethylpentane 10.69
    2-methyltetrahydrofuran 806.72
    n-hexyl acetate 238.71
    isooctane 8.39
    2-(2-butoxyethoxy)ethanol 364.74
    sec-butyl acetate 237.25
    tert-butyl acetate 363.28
    decalin 23.92
    glycerin 227.06
    diglyme 781.51
    acrylic acid 368.75
    isopropyl myristate 75.9
    n-butyric acid 602.77
    acetyl acetate 369.63
    di(2-ethylhexyl) phthalate 92.18
    ethyl propionate 307.62
    nitromethane 1534.34
    1,2-diethoxyethane 406.55
    benzonitrile 354.9
    trioctyl phosphate 56.92
    1-bromopropane 394.46
    gamma-valerolactone 1261.22
    n-decanol 40.34
    triethyl phosphate 115.76
    4-methyl-2-pentanol 101.69
    propionitrile 357.08
    vinylene carbonate 479.49
    1,1,2-trichlorotrifluoroethane 850.55
    DMS 226.49
    cumene 68.03
    2-octanol 41.94
    2-hexanone 381.62
    octyl acetate 96.06
    limonene 90.04
    1,2-dimethoxyethane 839.2
    ethyl orthosilicate 105.93
    tributyl phosphate 92.36
    diacetone alcohol 405.61
    N,N-dimethylaniline 165.77
    acrylonitrile 541.48
    aniline 298.01
    1,3-propanediol 341.44
    bromobenzene 381.53
    dibromomethane 844.06
    1,1,2,2-tetrachloroethane 1303.79
    2-methyl-cyclohexyl acetate 193.94
    tetrabutyl urea 118.0
    diisobutyl methanol 64.83
    2-phenylethanol 184.59
    styrene 166.68
    dioctyl adipate 152.48
    dimethyl sulfate 294.54
    ethyl butyrate 249.6
    methyl lactate 183.94
    butyl lactate 171.76
    diethyl carbonate 171.54
    propanediol butyl ether 228.11
    triethyl orthoformate 156.64
    p-tert-butyltoluene 54.81
    methyl 4-tert-butylbenzoate 192.57
    morpholine 1054.94
    tert-butylamine 224.66
    n-dodecanol 29.53
    dimethoxymethane 454.76
    ethylene carbonate 389.01
    cyrene 260.82
    2-ethoxyethyl acetate 311.0
    2-ethylhexyl acetate 223.22
    1,2,4-trichlorobenzene 380.36
    4-methylpyridine 686.19
    dibutyl ether 131.85
    2,6-dimethyl-4-heptanol 64.83
    DEF 586.48
    dimethyl isosorbide 439.66
    tetrachloroethylene 843.79
    eugenol 200.77
    triacetin 290.88
    span 80 213.93
    1,4-butanediol 124.51
    1,1-dichloroethane 749.63
    2-methyl-1-pentanol 206.31
    methyl formate 385.43
    2-methyl-1-butanol 209.28
    n-decane 6.45
    butyronitrile 395.18
    3,7-dimethyl-1-octanol 86.14
    1-chlorooctane 48.32
    1-chlorotetradecane 16.84
    n-nonane 6.06
    undecane 4.62
    tert-butylcyclohexane 19.22
    cyclooctane 8.66
    cyclopentanol 357.03
    tetrahydropyran 735.1
    tert-amyl methyl ether 222.62
    2,5,8-trioxanonane 486.07
    1-hexene 116.3
    2-isopropoxyethanol 314.39
    2,2,2-trifluoroethanol 202.02
    methyl butyrate 477.24

    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