Ethyl 6-oxononanoate

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  • Identifiers

    CAS number
    4144-59-6

    Molecular formula
    C11H20O3

    SMILES
    CCCC(=O)CCCCC(=O)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.45%
    Caramellic 37.2%
    Fatty 36.93%
    Winey 35.87%
    Sweet 33.85%
    Pineapple 32.29%
    Oily 32.14%
    Buttery 31.55%
    Waxy 25.22%
    Peach 25.18%

     

    Flavor
    Fruity 86.45%
    Pineapple 68.62%
    Sweet 61.09%
    Fruit 45.68%
    Berry 44.33%
    Apple 40.04%
    Tropical 39.6%
    Cheese 39.6%
    Grape 39.02%
    Fatty 32.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.55 (weak base)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    260°C

    Flash point

    • 114.03 ˚C est.

  • Synonyms

    • Ethyl 6-oxononanoate
    • 4144-59-6
    • MFCD01320349
    • Ethyl6-oxononanoate
    • Nonanoic acid, 6-oxo-,ethyl ester
    • Nonanoic acid, 6-oxo-, ethyl ester
    • Ethyl 6-oxononanoate #
    • DTXSID70338862
    • NXLGAXQMRZRNRB-UHFFFAOYSA-N
    • AKOS016022973
    • MS-21422
    • 4144-59-6

  • Applications

    Ethyl 6-oxononanoate (CAS number: 4144-59-6) is primarily used as an organic synthesis intermediate. It serves as a versatile building block for the preparation of beta-keto esters and related pharmaceutical intermediates. It may also function as a precursor in fragrance and perfumery chemistry, contributing to aroma-forming esters and ketone-containing odorants. In industrial manufacturing, it is used as a precursor for specialty esters employed in coatings, inks, and polymer-related chemistry. In cosmetics and personal care, it may appear as a fragrance-related ingredient or intermediate in formulations that require ester/ketone functionality. These applications are typical for aliphatic ester ketone-containing compounds and depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 989.76
    methanol 1495.7
    isopropanol 795.13
    water 0.63
    ethyl acetate 651.93
    n-propanol 711.87
    acetone 1362.34
    n-butanol 645.21
    acetonitrile 1199.89
    DMF 1489.08
    toluene 299.51
    isobutanol 553.65
    1,4-dioxane 1079.28
    methyl acetate 627.18
    THF 1259.25
    2-butanone 854.28
    n-pentanol 548.61
    sec-butanol 653.6
    n-hexane 76.25
    ethylene glycol 132.91
    NMP 1101.72
    cyclohexane 100.11
    DMSO 1829.64
    n-butyl acetate 488.98
    n-octanol 196.76
    chloroform 2285.96
    n-propyl acetate 451.6
    acetic acid 1362.08
    dichloromethane 2179.43
    cyclohexanone 1217.43
    propylene glycol 225.0
    isopropyl acetate 415.42
    DMAc 1184.29
    2-ethoxyethanol 722.44
    isopentanol 559.19
    n-heptane 22.29
    ethyl formate 501.88
    1,2-dichloroethane 1257.95
    n-hexanol 388.15
    2-methoxyethanol 1129.23
    isobutyl acetate 295.41
    tetrachloromethane 226.32
    n-pentyl acetate 326.23
    transcutol 1742.99
    n-heptanol 149.41
    ethylbenzene 203.48
    MIBK 421.43
    2-propoxyethanol 615.04
    tert-butanol 944.44
    MTBE 649.16
    2-butoxyethanol 329.4
    propionic acid 670.39
    o-xylene 198.07
    formic acid 372.75
    diethyl ether 576.58
    m-xylene 201.36
    p-xylene 282.05
    chlorobenzene 612.93
    dimethyl carbonate 167.94
    n-octane 14.64
    formamide 442.07
    cyclopentanone 1178.48
    2-pentanone 652.96
    anisole 444.67
    cyclopentyl methyl ether 555.88
    gamma-butyrolactone 1240.88
    1-methoxy-2-propanol 725.94
    pyridine 1011.46
    3-pentanone 440.94
    furfural 1108.26
    n-dodecane 14.2
    diethylene glycol 466.88
    diisopropyl ether 139.08
    tert-amyl alcohol 746.0
    acetylacetone 721.86
    n-hexadecane 16.43
    acetophenone 443.93
    methyl propionate 430.86
    isopentyl acetate 440.82
    trichloroethylene 2099.29
    n-nonanol 165.38
    cyclohexanol 613.2
    benzyl alcohol 433.91
    2-ethylhexanol 212.91
    isooctanol 134.26
    dipropyl ether 211.13
    1,2-dichlorobenzene 528.48
    ethyl lactate 212.1
    propylene carbonate 662.9
    n-methylformamide 759.28
    2-pentanol 392.58
    n-pentane 47.56
    1-propoxy-2-propanol 424.7
    1-methoxy-2-propyl acetate 418.49
    2-(2-methoxypropoxy) propanol 374.55
    mesitylene 130.79
    ε-caprolactone 942.17
    p-cymene 104.53
    epichlorohydrin 1356.44
    1,1,1-trichloroethane 1028.08
    2-aminoethanol 336.1
    morpholine-4-carbaldehyde 1012.23
    sulfolane 1430.73
    2,2,4-trimethylpentane 34.62
    2-methyltetrahydrofuran 930.09
    n-hexyl acetate 483.8
    isooctane 23.13
    2-(2-butoxyethoxy)ethanol 512.08
    sec-butyl acetate 304.99
    tert-butyl acetate 468.87
    decalin 61.47
    glycerin 321.32
    diglyme 925.01
    acrylic acid 567.79
    isopropyl myristate 155.08
    n-butyric acid 925.53
    acetyl acetate 457.28
    di(2-ethylhexyl) phthalate 175.37
    ethyl propionate 359.42
    nitromethane 1828.16
    1,2-diethoxyethane 503.81
    benzonitrile 630.2
    trioctyl phosphate 116.31
    1-bromopropane 704.3
    gamma-valerolactone 1391.15
    n-decanol 113.37
    triethyl phosphate 165.41
    4-methyl-2-pentanol 219.22
    propionitrile 730.91
    vinylene carbonate 614.0
    1,1,2-trichlorotrifluoroethane 956.31
    DMS 335.7
    cumene 136.39
    2-octanol 127.08
    2-hexanone 544.59
    octyl acetate 204.98
    limonene 165.27
    1,2-dimethoxyethane 1189.25
    ethyl orthosilicate 156.86
    tributyl phosphate 172.55
    diacetone alcohol 543.01
    N,N-dimethylaniline 292.24
    acrylonitrile 892.09
    aniline 448.29
    1,3-propanediol 570.07
    bromobenzene 646.36
    dibromomethane 1405.33
    1,1,2,2-tetrachloroethane 1772.58
    2-methyl-cyclohexyl acetate 278.39
    tetrabutyl urea 216.07
    diisobutyl methanol 121.7
    2-phenylethanol 319.43
    styrene 296.29
    dioctyl adipate 258.26
    dimethyl sulfate 334.67
    ethyl butyrate 317.17
    methyl lactate 244.15
    butyl lactate 279.99
    diethyl carbonate 229.08
    propanediol butyl ether 371.9
    triethyl orthoformate 208.93
    p-tert-butyltoluene 97.41
    methyl 4-tert-butylbenzoate 322.53
    morpholine 1355.51
    tert-butylamine 509.09
    n-dodecanol 83.78
    dimethoxymethane 591.86
    ethylene carbonate 520.3
    cyrene 362.17
    2-ethoxyethyl acetate 408.98
    2-ethylhexyl acetate 323.79
    1,2,4-trichlorobenzene 598.45
    4-methylpyridine 1010.47
    dibutyl ether 265.45
    2,6-dimethyl-4-heptanol 121.7
    DEF 739.5
    dimethyl isosorbide 536.98
    tetrachloroethylene 1087.31
    eugenol 333.54
    triacetin 422.65
    span 80 349.54
    1,4-butanediol 254.91
    1,1-dichloroethane 1235.99
    2-methyl-1-pentanol 484.37
    methyl formate 506.12
    2-methyl-1-butanol 522.2
    n-decane 24.72
    butyronitrile 808.34
    3,7-dimethyl-1-octanol 206.26
    1-chlorooctane 133.36
    1-chlorotetradecane 49.37
    n-nonane 24.22
    undecane 17.75
    tert-butylcyclohexane 52.69
    cyclooctane 24.95
    cyclopentanol 609.97
    tetrahydropyran 1064.79
    tert-amyl methyl ether 440.64
    2,5,8-trioxanonane 616.43
    1-hexene 347.98
    2-isopropoxyethanol 461.25
    2,2,2-trifluoroethanol 317.8
    methyl butyrate 573.59

    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