Diethyl 2-oxopentanedioate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5965-53-7

    Molecular formula
    C9H14O5

    SMILES
    CCOC(=O)CCC(=O)C(=O)OCC

  • Odor profile

    Fruity 83.06%
    Winey 65.99%
    Caramellic 65.25%
    Sweet 53.12%
    Herbal 45.25%
    Apple 44.33%
    Oily 35.11%
    Ethereal 34.95%
    Buttery 34.37%
    Green 32.78%

    Scent© AI

  • Properties

    XLogP3-AA
    0.5

    Molecular weight
    202.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    264°C

    Flash point est.
    116.04 ˚C

  • Synonyms

    • diethyl 2-oxopentanedioate
    • 5965-53-7
    • Diethyl 2-oxoglutarate
    • Diethyl alpha-ketoglutarate
    • MFCD00032382
    • diethyl oxalopropionate
    • Pentanedioic acid, 2-oxo-, diethyl ester
    • Ethyl ethoxalylpropionate
    • .alpha.-Ketoglutaric acid diethyl ester
    • D9H7KZF90H
    • NSC-111179
    • UNII-D9H7KZF90H
    • EINECS 227-750-3
    • Glutaric acid, 2-oxo-, diethyl ester
    • diethyl 2-ketoglutarate
    • DIETHYL OXOGLURATE
    • SCHEMBL3533002
    • DTXSID60208328
    • diethyl 2-oxoglutarate, AldrichCPR
    • DIETHYL .ALPHA.-KETOGLUTARATE
    • NSC111179
    • AKOS016012914
    • CS-W004449
    • DS-5241
    • NSC 111179
    • FD159716
    • SY110477
    • 2-OXOPENTANEDIOIC ACID DIETHYL ESTER
    • NS00034210
    • O11720
    • .ALPHA.-KETOGLUTARIC ACID DIETHYL ESTER [MI]
    • PENTANEDIOIC ACID, 2-OXO-, 1,5-DIETHYL ESTER
    • Q27276272

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 114.27
    methanol 224.03
    isopropanol 87.97
    water 2.94
    ethyl acetate 513.42
    n-propanol 87.78
    acetone 1250.38
    n-butanol 76.5
    acetonitrile 816.81
    DMF 3499.94
    toluene 214.28
    isobutanol 70.43
    1,4-dioxane 501.47
    methyl acetate 683.07
    THF 696.22
    2-butanone 632.15
    n-pentanol 84.56
    sec-butanol 93.34
    n-hexane 18.5
    ethylene glycol 62.18
    NMP 3393.8
    cyclohexane 18.82
    DMSO 4531.65
    n-butyl acetate 274.2
    n-octanol 40.58
    chloroform 880.05
    n-propyl acetate 313.7
    acetic acid 914.47
    dichloromethane 1418.92
    cyclohexanone 799.09
    propylene glycol 56.38
    isopropyl acetate 280.27
    DMAc 2786.71
    2-ethoxyethanol 357.12
    isopentanol 80.86
    n-heptane 7.07
    ethyl formate 376.26
    1,2-dichloroethane 1025.42
    n-hexanol 51.98
    2-methoxyethanol 470.16
    isobutyl acetate 125.55
    tetrachloromethane 85.71
    n-pentyl acetate 138.76
    transcutol 993.6
    n-heptanol 28.87
    ethylbenzene 148.53
    MIBK 207.99
    2-propoxyethanol 223.56
    tert-butanol 167.47
    MTBE 232.14
    2-butoxyethanol 109.63
    propionic acid 408.34
    o-xylene 212.93
    formic acid 505.28
    diethyl ether 205.16
    m-xylene 144.26
    p-xylene 200.71
    chlorobenzene 501.26
    dimethyl carbonate 445.71
    n-octane 3.84
    formamide 1158.58
    cyclopentanone 1283.63
    2-pentanone 425.04
    anisole 498.89
    cyclopentyl methyl ether 331.61
    gamma-butyrolactone 1920.97
    1-methoxy-2-propanol 328.14
    pyridine 904.98
    3-pentanone 453.64
    furfural 1965.37
    n-dodecane 3.54
    diethylene glycol 219.09
    diisopropyl ether 61.34
    tert-amyl alcohol 179.72
    acetylacetone 944.33
    n-hexadecane 4.37
    acetophenone 639.34
    methyl propionate 585.47
    isopentyl acetate 208.62
    trichloroethylene 2191.52
    n-nonanol 39.29
    cyclohexanol 119.26
    benzyl alcohol 310.89
    2-ethylhexanol 48.79
    isooctanol 27.67
    dipropyl ether 90.45
    1,2-dichlorobenzene 607.23
    ethyl lactate 177.39
    propylene carbonate 786.83
    n-methylformamide 1164.12
    2-pentanol 65.63
    n-pentane 10.34
    1-propoxy-2-propanol 160.15
    1-methoxy-2-propyl acetate 333.94
    2-(2-methoxypropoxy) propanol 234.33
    mesitylene 86.02
    ε-caprolactone 798.09
    p-cymene 62.87
    epichlorohydrin 1553.33
    1,1,1-trichloroethane 604.81
    2-aminoethanol 95.87
    morpholine-4-carbaldehyde 1831.02
    sulfolane 3384.17
    2,2,4-trimethylpentane 12.35
    2-methyltetrahydrofuran 476.72
    n-hexyl acetate 196.2
    isooctane 5.96
    2-(2-butoxyethoxy)ethanol 238.78
    sec-butyl acetate 182.93
    tert-butyl acetate 335.46
    decalin 24.12
    glycerin 151.39
    diglyme 617.96
    acrylic acid 606.72
    isopropyl myristate 71.13
    n-butyric acid 355.66
    acetyl acetate 525.09
    di(2-ethylhexyl) phthalate 98.13
    ethyl propionate 346.49
    nitromethane 3373.24
    1,2-diethoxyethane 283.49
    benzonitrile 528.6
    trioctyl phosphate 54.02
    1-bromopropane 289.07
    gamma-valerolactone 1722.21
    n-decanol 28.85
    triethyl phosphate 156.22
    4-methyl-2-pentanol 43.05
    propionitrile 348.71
    vinylene carbonate 871.15
    1,1,2-trichlorotrifluoroethane 1099.37
    DMS 416.15
    cumene 93.65
    2-octanol 25.78
    2-hexanone 297.74
    octyl acetate 93.27
    limonene 90.32
    1,2-dimethoxyethane 742.51
    ethyl orthosilicate 121.25
    tributyl phosphate 96.97
    diacetone alcohol 340.7
    N,N-dimethylaniline 359.24
    acrylonitrile 797.5
    aniline 337.44
    1,3-propanediol 126.99
    bromobenzene 493.77
    dibromomethane 728.52
    1,1,2,2-tetrachloroethane 1377.22
    2-methyl-cyclohexyl acetate 181.53
    tetrabutyl urea 149.35
    diisobutyl methanol 35.86
    2-phenylethanol 169.81
    styrene 241.28
    dioctyl adipate 157.96
    dimethyl sulfate 1360.84
    ethyl butyrate 219.44
    methyl lactate 302.7
    butyl lactate 138.42
    diethyl carbonate 192.8
    propanediol butyl ether 125.33
    triethyl orthoformate 150.67
    p-tert-butyltoluene 56.15
    methyl 4-tert-butylbenzoate 300.96
    morpholine 590.43
    tert-butylamine 86.37
    n-dodecanol 22.09
    dimethoxymethane 762.88
    ethylene carbonate 580.0
    cyrene 355.44
    2-ethoxyethyl acetate 272.94
    2-ethylhexyl acetate 172.94
    1,2,4-trichlorobenzene 769.84
    4-methylpyridine 1015.99
    dibutyl ether 84.5
    2,6-dimethyl-4-heptanol 35.86
    DEF 932.87
    dimethyl isosorbide 494.66
    tetrachloroethylene 792.28
    eugenol 261.84
    triacetin 383.74
    span 80 154.99
    1,4-butanediol 77.48
    1,1-dichloroethane 626.73
    2-methyl-1-pentanol 99.61
    methyl formate 917.99
    2-methyl-1-butanol 86.09
    n-decane 5.97
    butyronitrile 249.74
    3,7-dimethyl-1-octanol 53.67
    1-chlorooctane 38.35
    1-chlorotetradecane 16.54
    n-nonane 5.45
    undecane 4.47
    tert-butylcyclohexane 17.24
    cyclooctane 7.62
    cyclopentanol 153.83
    tetrahydropyran 289.95
    tert-amyl methyl ether 235.0
    2,5,8-trioxanonane 441.53
    1-hexene 71.41
    2-isopropoxyethanol 203.53
    2,2,2-trifluoroethanol 498.2
    methyl butyrate 450.15

    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

Botanical

Name CAS Botanical Proportion
Soursop, fruit Annona muricata L., fam. Annonaceae 0.1%