Ethyl 5-oxooctanoate

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  • Identifiers

    CAS number
    5205-40-3

    Molecular formula
    C10H18O3

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

  • Odor profile

    Fragrance
    Fruity 93.0%
    Caramellic 45.66%
    Winey 42.82%
    Sweet 41.82%
    Pineapple 38.21%
    Fatty 37.24%
    Buttery 32.78%
    Oily 31.38%
    Waxy 28.07%
    Tropical 27.75%

     

    Flavor
    Fruity 86.92%
    Pineapple 68.9%
    Sweet 62.18%
    Fruit 46.76%
    Berry 43.64%
    Apple 43.02%
    Grape 40.06%
    Cheese 39.75%
    Tropical 39.53%
    Fatty 34.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.4 (weak base)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 101.64 ˚C est.

  • Synonyms

    • ETHYL 5-OXOOCTANOATE
    • 5205-40-3
    • DTXSID40645671
    • MFCD01320348
    • ETHYL5-OXOOCTANOATE
    • ethyl 5-ketocaprylate
    • DTXCID90596422
    • AKOS006283045

  • Applications

    Ethyl 5-oxooctanoate (CAS 5205-40-3) is primarily used as a specialized intermediate in organic synthesis, serving as a beta-keto ester building block for carbon–carbon bond-forming transformations and for preparing functionalized derivatives. In the pharmaceutical and agrochemical sectors, it is commonly evaluated as a precursor to potential active‑ingredient intermediates and related scaffolds. The compound also finds applications in polymer and resin chemistries as a precursory feedstock for tailored polyesters and crosslinkable systems. Additionally, it may be used in research settings to explore synthetic routes and catalysis for complex molecules, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2677.21
    methanol 4152.74
    isopropanol 1966.39
    water 4.85
    ethyl acetate 2766.81
    n-propanol 1864.19
    acetone 6915.43
    n-butanol 1549.94
    acetonitrile 5003.5
    DMF 7535.53
    toluene 898.36
    isobutanol 1369.39
    1,4-dioxane 2710.67
    methyl acetate 2574.7
    THF 4263.67
    2-butanone 3179.22
    n-pentanol 1081.51
    sec-butanol 1595.75
    n-hexane 180.73
    ethylene glycol 510.66
    NMP 6193.78
    cyclohexane 187.92
    DMSO 9442.31
    n-butyl acetate 1397.32
    n-octanol 425.8
    chloroform 5102.17
    n-propyl acetate 1527.16
    acetic acid 7359.31
    dichloromethane 5671.5
    cyclohexanone 4584.62
    propylene glycol 717.31
    isopropyl acetate 1641.51
    DMAc 4581.82
    2-ethoxyethanol 1756.0
    isopentanol 1309.8
    n-heptane 48.47
    ethyl formate 1736.56
    1,2-dichloroethane 3534.2
    n-hexanol 675.24
    2-methoxyethanol 3162.1
    isobutyl acetate 798.37
    tetrachloromethane 495.07
    n-pentyl acetate 896.96
    transcutol 6064.01
    n-heptanol 270.87
    ethylbenzene 498.9
    MIBK 1303.69
    2-propoxyethanol 1387.78
    tert-butanol 2243.65
    MTBE 1713.72
    2-butoxyethanol 673.94
    propionic acid 2826.06
    o-xylene 568.97
    formic acid 2220.64
    diethyl ether 1884.53
    m-xylene 619.01
    p-xylene 657.8
    chlorobenzene 1761.15
    dimethyl carbonate 885.87
    n-octane 24.94
    formamide 3397.23
    cyclopentanone 5109.41
    2-pentanone 2761.9
    anisole 1199.83
    cyclopentyl methyl ether 2054.11
    gamma-butyrolactone 6305.23
    1-methoxy-2-propanol 2305.76
    pyridine 3157.0
    3-pentanone 1801.94
    furfural 4506.1
    n-dodecane 23.4
    diethylene glycol 1106.95
    diisopropyl ether 404.0
    tert-amyl alcohol 1678.0
    acetylacetone 3415.72
    n-hexadecane 27.97
    acetophenone 1295.76
    methyl propionate 2032.71
    isopentyl acetate 1053.61
    trichloroethylene 7397.1
    n-nonanol 350.11
    cyclohexanol 1743.83
    benzyl alcohol 1077.41
    2-ethylhexanol 412.45
    isooctanol 239.29
    dipropyl ether 517.94
    1,2-dichlorobenzene 1515.01
    ethyl lactate 564.67
    propylene carbonate 2620.53
    n-methylformamide 3742.33
    2-pentanol 1043.18
    n-pentane 115.14
    1-propoxy-2-propanol 983.89
    1-methoxy-2-propyl acetate 1245.47
    2-(2-methoxypropoxy) propanol 850.31
    mesitylene 350.02
    ε-caprolactone 3614.54
    p-cymene 215.54
    epichlorohydrin 5179.78
    1,1,1-trichloroethane 2779.81
    2-aminoethanol 1060.2
    morpholine-4-carbaldehyde 4039.69
    sulfolane 7431.41
    2,2,4-trimethylpentane 77.5
    2-methyltetrahydrofuran 3123.84
    n-hexyl acetate 1365.7
    isooctane 50.32
    2-(2-butoxyethoxy)ethanol 1247.68
    sec-butyl acetate 898.13
    tert-butyl acetate 1638.71
    decalin 118.43
    glycerin 1068.79
    diglyme 2263.47
    acrylic acid 2758.19
    isopropyl myristate 364.67
    n-butyric acid 3396.19
    acetyl acetate 1923.11
    di(2-ethylhexyl) phthalate 385.08
    ethyl propionate 1236.86
    nitromethane 11840.36
    1,2-diethoxyethane 1420.77
    benzonitrile 1828.63
    trioctyl phosphate 248.67
    1-bromopropane 1658.35
    gamma-valerolactone 5704.07
    n-decanol 228.59
    triethyl phosphate 375.56
    4-methyl-2-pentanol 495.15
    propionitrile 2213.64
    vinylene carbonate 2479.05
    1,1,2-trichlorotrifluoroethane 3041.91
    DMS 1191.47
    cumene 295.74
    2-octanol 250.61
    2-hexanone 1535.96
    octyl acetate 497.75
    limonene 371.53
    1,2-dimethoxyethane 2807.75
    ethyl orthosilicate 341.11
    tributyl phosphate 430.78
    diacetone alcohol 1673.45
    N,N-dimethylaniline 719.68
    acrylonitrile 3283.91
    aniline 1482.78
    1,3-propanediol 1609.47
    bromobenzene 1826.13
    dibromomethane 3312.56
    1,1,2,2-tetrachloroethane 4967.55
    2-methyl-cyclohexyl acetate 638.45
    tetrabutyl urea 539.21
    diisobutyl methanol 234.86
    2-phenylethanol 688.29
    styrene 760.93
    dioctyl adipate 646.4
    dimethyl sulfate 1950.87
    ethyl butyrate 831.54
    methyl lactate 931.34
    butyl lactate 734.2
    diethyl carbonate 573.64
    propanediol butyl ether 953.08
    triethyl orthoformate 496.85
    p-tert-butyltoluene 203.72
    methyl 4-tert-butylbenzoate 791.32
    morpholine 3855.56
    tert-butylamine 1186.15
    n-dodecanol 161.43
    dimethoxymethane 2337.15
    ethylene carbonate 1934.05
    cyrene 897.85
    2-ethoxyethyl acetate 1209.22
    2-ethylhexyl acetate 766.71
    1,2,4-trichlorobenzene 1791.27
    4-methylpyridine 3618.33
    dibutyl ether 692.71
    2,6-dimethyl-4-heptanol 234.86
    DEF 3251.88
    dimethyl isosorbide 1406.05
    tetrachloroethylene 2850.82
    eugenol 748.7
    triacetin 1338.0
    span 80 801.28
    1,4-butanediol 598.85
    1,1-dichloroethane 3534.03
    2-methyl-1-pentanol 983.29
    methyl formate 2592.29
    2-methyl-1-butanol 1264.11
    n-decane 43.15
    butyronitrile 2302.64
    3,7-dimethyl-1-octanol 438.06
    1-chlorooctane 284.78
    1-chlorotetradecane 92.49
    n-nonane 42.16
    undecane 30.03
    tert-butylcyclohexane 107.17
    cyclooctane 48.79
    cyclopentanol 1859.11
    tetrahydropyran 2862.26
    tert-amyl methyl ether 1192.68
    2,5,8-trioxanonane 1393.3
    1-hexene 742.73
    2-isopropoxyethanol 1042.59
    2,2,2-trifluoroethanol 1745.33
    methyl butyrate 1929.15

    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