Ethyl 5-oxodecanoate

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  • Identifiers

    CAS number
    93919-00-7

    Molecular formula
    C12H22O3

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

  • Odor profile

    Fragrance
    Fruity 84.97%
    Winey 38.59%
    Fatty 38.14%
    Oily 35.14%
    Caramellic 31.61%
    Peach 31.24%
    Waxy 31.1%
    Pineapple 30.75%
    Buttery 29.33%
    Sweet 28.43%

     

    Flavor
    Fruity 78.44%
    Pineapple 57.48%
    Sweet 47.13%
    Tropical 39.27%
    Cheese 38.04%
    Fruit 37.51%
    Berry 36.12%
    Fatty 32.26%
    Grape 30.84%
    Apple 30.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.14 (weak base)

    Molecular weight
    214.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point

    • 120.17 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 5-oxodecanoate
    • 93919-00-7
    • Decanoic acid, 5-oxo-, ethyl ester
    • UNII-46LCV03QA5
    • 46LCV03QA5
    • EINECS 299-982-3
    • FEMA NO. 4457
    • ZAHUTEIIIFGYHV-UHFFFAOYSA-
    • DTXSID50239888
    • Ethyl5-oxodecanoate
    • MFCD01320344
    • SCHEMBL10412785
    • DTXCID00162379
    • ZAHUTEIIIFGYHV-UHFFFAOYSA-N
    • AKOS016022952
    • NS00022888
    • Q27258941
    • 299-982-3

  • Applications

    Ethyl 5-oxodecanoate (CAS 93919-00-7) is used in various industrial and formulation contexts as an aroma chemical and fragrance intermediate, contributing long-chain notes in perfumery and cosmetics/personal care formulations; it may be evaluated for use as a flavor/aroma ingredient in flavor and odor systems; it can function as a solvent or formulation aid in coatings, inks, and cleaning products; and it serves as a building block for the synthesis of additional fragrance and flavor compounds in industrial manufacturing. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2995.78
    methanol 4945.12
    isopropanol 2080.97
    water 1.12
    ethyl acetate 2941.78
    n-propanol 1955.06
    acetone 6119.52
    n-butanol 1587.31
    acetonitrile 3953.78
    DMF 5339.88
    toluene 831.8
    isobutanol 1397.68
    1,4-dioxane 2753.32
    methyl acetate 2172.13
    THF 4208.54
    2-butanone 2774.03
    n-pentanol 1068.32
    sec-butanol 1557.21
    n-hexane 133.48
    ethylene glycol 324.68
    NMP 4461.49
    cyclohexane 202.53
    DMSO 7432.15
    n-butyl acetate 1461.76
    n-octanol 339.5
    chloroform 4761.41
    n-propyl acetate 1629.91
    acetic acid 4802.98
    dichloromethane 5148.26
    cyclohexanone 4405.24
    propylene glycol 530.74
    isopropyl acetate 1695.38
    DMAc 3422.25
    2-ethoxyethanol 1654.9
    isopentanol 1337.73
    n-heptane 38.06
    ethyl formate 1513.79
    1,2-dichloroethane 3357.04
    n-hexanol 681.38
    2-methoxyethanol 2919.35
    isobutyl acetate 899.72
    tetrachloromethane 455.67
    n-pentyl acetate 909.96
    transcutol 6188.92
    n-heptanol 254.36
    ethylbenzene 432.4
    MIBK 1255.47
    2-propoxyethanol 1332.17
    tert-butanol 2185.99
    MTBE 1773.61
    2-butoxyethanol 678.26
    propionic acid 2187.88
    o-xylene 490.84
    formic acid 1255.81
    diethyl ether 2037.13
    m-xylene 533.27
    p-xylene 581.42
    chlorobenzene 1516.04
    dimethyl carbonate 635.27
    n-octane 19.06
    formamide 2138.27
    cyclopentanone 4309.65
    2-pentanone 2564.96
    anisole 988.27
    cyclopentyl methyl ether 1944.48
    gamma-butyrolactone 4854.76
    1-methoxy-2-propanol 2016.29
    pyridine 2990.68
    3-pentanone 1531.9
    furfural 3403.39
    n-dodecane 17.46
    diethylene glycol 955.66
    diisopropyl ether 411.59
    tert-amyl alcohol 1683.76
    acetylacetone 3064.36
    n-hexadecane 21.16
    acetophenone 1071.1
    methyl propionate 1818.56
    isopentyl acetate 1166.15
    trichloroethylene 6185.99
    n-nonanol 284.74
    cyclohexanol 1717.49
    benzyl alcohol 900.44
    2-ethylhexanol 408.35
    isooctanol 229.61
    dipropyl ether 526.37
    1,2-dichlorobenzene 1279.08
    ethyl lactate 496.57
    propylene carbonate 2132.28
    n-methylformamide 2669.45
    2-pentanol 1012.41
    n-pentane 84.29
    1-propoxy-2-propanol 972.05
    1-methoxy-2-propyl acetate 1244.56
    2-(2-methoxypropoxy) propanol 773.01
    mesitylene 301.62
    ε-caprolactone 3375.62
    p-cymene 189.44
    epichlorohydrin 4561.83
    1,1,1-trichloroethane 2443.34
    2-aminoethanol 882.02
    morpholine-4-carbaldehyde 3243.34
    sulfolane 5395.62
    2,2,4-trimethylpentane 59.2
    2-methyltetrahydrofuran 3008.97
    n-hexyl acetate 1215.76
    isooctane 40.46
    2-(2-butoxyethoxy)ethanol 1156.43
    sec-butyl acetate 948.2
    tert-butyl acetate 1559.74
    decalin 110.71
    glycerin 746.73
    diglyme 2186.11
    acrylic acid 1804.22
    isopropyl myristate 319.93
    n-butyric acid 3250.64
    acetyl acetate 1777.33
    di(2-ethylhexyl) phthalate 333.68
    ethyl propionate 1203.96
    nitromethane 8117.3
    1,2-diethoxyethane 1511.4
    benzonitrile 1487.69
    trioctyl phosphate 211.81
    1-bromopropane 1593.12
    gamma-valerolactone 4874.7
    n-decanol 186.21
    triethyl phosphate 353.13
    4-methyl-2-pentanol 466.88
    propionitrile 1870.83
    vinylene carbonate 1906.27
    1,1,2-trichlorotrifluoroethane 2611.24
    DMS 988.63
    cumene 252.82
    2-octanol 215.01
    2-hexanone 1489.44
    octyl acetate 425.44
    limonene 341.92
    1,2-dimethoxyethane 2757.22
    ethyl orthosilicate 333.68
    tributyl phosphate 359.75
    diacetone alcohol 1516.96
    N,N-dimethylaniline 588.56
    acrylonitrile 2469.64
    aniline 1317.93
    1,3-propanediol 1357.94
    bromobenzene 1623.3
    dibromomethane 3200.88
    1,1,2,2-tetrachloroethane 4469.48
    2-methyl-cyclohexyl acetate 631.57
    tetrabutyl urea 451.19
    diisobutyl methanol 220.76
    2-phenylethanol 633.91
    styrene 679.03
    dioctyl adipate 580.58
    dimethyl sulfate 1273.11
    ethyl butyrate 870.63
    methyl lactate 721.61
    butyl lactate 703.59
    diethyl carbonate 541.9
    propanediol butyl ether 836.5
    triethyl orthoformate 522.62
    p-tert-butyltoluene 180.35
    methyl 4-tert-butylbenzoate 680.96
    morpholine 3913.18
    tert-butylamine 1120.49
    n-dodecanol 132.18
    dimethoxymethane 2014.36
    ethylene carbonate 1625.74
    cyrene 760.45
    2-ethoxyethyl acetate 1219.9
    2-ethylhexyl acetate 831.76
    1,2,4-trichlorobenzene 1462.33
    4-methylpyridine 3255.29
    dibutyl ether 656.59
    2,6-dimethyl-4-heptanol 220.76
    DEF 2814.33
    dimethyl isosorbide 1281.54
    tetrachloroethylene 2646.33
    eugenol 646.56
    triacetin 1194.02
    span 80 725.33
    1,4-butanediol 488.23
    1,1-dichloroethane 3204.58
    2-methyl-1-pentanol 910.44
    methyl formate 1714.78
    2-methyl-1-butanol 1280.99
    n-decane 33.14
    butyronitrile 2072.61
    3,7-dimethyl-1-octanol 383.77
    1-chlorooctane 240.11
    1-chlorotetradecane 74.74
    n-nonane 31.55
    undecane 22.76
    tert-butylcyclohexane 89.47
    cyclooctane 44.41
    cyclopentanol 1791.02
    tetrahydropyran 3166.74
    tert-amyl methyl ether 1167.46
    2,5,8-trioxanonane 1353.13
    1-hexene 676.16
    2-isopropoxyethanol 1029.17
    2,2,2-trifluoroethanol 1050.62
    methyl butyrate 1898.96

    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