Oxaloacetic Acid

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  • Identifiers

    CAS number
    328-42-7

    Molecular formula
    C4H4O5

    SMILES
    C(C(=O)C(=O)O)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sour 58.73%
    Odorless 56.32%
    Caramellic 46.15%
    Burnt 37.65%
    Sharp 33.83%
    Winey 32.97%
    Buttery 31.0%
    Creamy 25.28%
    Clean 24.55%
    Fatty 21.79%

     

    Flavor
    Odorless 62.62%
    Sour 49.31%
    Very mild 36.65%
    Nutty 35.31%
    Caramellic 32.47%
    Musty 27.85%
    Acidic 26.2%
    Mild 24.0%
    Yeast 22.52%
    Sharp 22.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    5.77 (weak acid)

    Molecular weight
    132.07 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Melting point expt.

    • 161 °C

    Flash point

    • 170.75 ˚C est.

    Solubility expt.

    • 134 mg/mL

  • Synonyms

    • oxalacetic acid
    • oxaloacetic acid
    • 328-42-7
    • 2-Oxobutanedioic acid
    • oxaloacetate
    • Ketosuccinic acid
    • Oxosuccinic acid
    • 2-Ketosuccinic acid
    • Butanedioic acid, oxo-
    • Bioepg
    • keto-oxaloacetate
    • 2-oxo-butanedioic acid
    • DTXSID8021646
    • NSC-77688
    • 2F399MM81J
    • DTXCID901646
    • CHEBI:30744
    • Acid, Oxalacetic
    • Acid, Oxaloacetic
    • 2 Ketosuccinic Acid
    • 2 oxo Butanedioic Acid
    • RefChem:857040
    • Oxalacetic acid trans-(z)-enol
    • 206-329-8
    • 2-Oxosuccinic acid
    • Oxobutanedioic acid
    • Oxalacetic acetic
    • MFCD00002592
    • alpha-Ketosuccinic acid
    • OAA
    • Butanedioic acid, 2-oxo-
    • Oxaloethanoic acid
    • NSC 77688
    • Anhydrous enol-oxaloacetate
    • 2-oxobutanedioate
    • OxalaceticAcid
    • FO12113
    • EINECS 206-329-8
    • Ketosuccinate
    • Oxaloethanoate
    • a-Ketosuccinate
    • UNII-2F399MM81J
    • 2-Ketosuccinate
    • 2-Oxosuccinate
    • 4cts
    • alpha-Ketosuccinate
    • a-Ketosuccinic acid
    • Oxalacetic acid (8CI)
    • SCHEMBL8464
    • OXALACETIC ACID [MI]
    • 3-carboxy-3-oxopropanoic acid
    • GTPL5236
    • orb1302502
    • Butanedioic acid, oxo- (9CI)
    • CHEMBL1794791
    • BDBM23230
    • OXALACETIC ACID [WHO-DD]
    • NSC77688
    • Oxaloacetic acid, >=97% (HPLC)
    • Tox21_201215
    • EBC-49030
    • LMFA01170120
    • MSK158549
    • s6112
    • SBB065751
    • STL168038
    • AKOS000121850
    • CS-W011098
    • HY-W010382
    • MSK158549-100A
    • MSK158549-1000A
    • NCGC00248960-01
    • NCGC00258767-01
    • AS-17361
    • CAS-328-42-7
    • SY010263
    • DB-048279
    • DB-228237
    • OXALACETIC ACID TRANS-(Z)-ENOL FORM
    • NS00015158
    • O0072
    • EN300-28603
    • C00036
    • H12016
    • O-5000
    • F358320
    • OXALACETIC ACID TRANS-(Z)-ENOL FORM [MI]
    • Q408658
    • Oxaloacetic acid Solution in Acetonitrile, 100ug/mL
    • BRD-K61279411-001-02-0
    • Oxaloacetic acid Solution in Acetonitrile, 1000ug/mL
    • Z271128590
    • F15D7D2F-5E37-4B87-A8D2-824D5097A4DE
    • Oxaloacetic acid, Hybri-Max(TM), powder, suitable for hybridoma
    • Oxaloacetic acid, powder, BioReagent, suitable for cell culture, suitable for insect cell culture, >=97% (HPLC)
    • 328-42-7

  • Applications

    Oxaloacetic acid (CAS 328-42-7) is used primarily as an intermediate in chemical and biochemical synthesis. It serves as a precursor for the production of aspartic acid and related amino acids through transaminase reactions, playing a key role in the industrial synthesis of amino acid building blocks. It is also used as a substrate in biocatalytic and enzyme-catalyzed processes to generate amino acids and other organic compounds. In laboratory research, oxaloacetic acid serves as a substrate and standard for studies related to the TCA cycle and enzyme activity. Its salt forms (for example, oxaloacetate salts) are often used to improve solubility and handling in fermentation and amino acid synthesis workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 211.77
    methanol 493.7
    isopropanol 158.3
    water 427.68
    ethyl acetate 10.09
    n-propanol 150.44
    acetone 103.61
    n-butanol 120.0
    acetonitrile 49.46
    DMF 1030.11
    toluene 4.98
    isobutanol 83.39
    1,4-dioxane 113.18
    methyl acetate 38.48
    THF 225.82
    2-butanone 59.9
    n-pentanol 69.42
    sec-butanol 97.32
    n-hexane 5.11
    ethylene glycol 292.66
    NMP 235.26
    cyclohexane 2.88
    DMSO 1448.53
    n-butyl acetate 10.79
    n-octanol 23.08
    chloroform 13.3
    n-propyl acetate 17.83
    acetic acid 36.24
    dichloromethane 31.36
    cyclohexanone 36.86
    propylene glycol 146.21
    isopropyl acetate 7.23
    DMAc 527.53
    2-ethoxyethanol 251.15
    isopentanol 81.05
    n-heptane 3.68
    ethyl formate 78.56
    1,2-dichloroethane 37.13
    n-hexanol 33.13
    2-methoxyethanol 532.62
    isobutyl acetate 6.42
    tetrachloromethane 5.84
    n-pentyl acetate 8.65
    transcutol 65.7
    n-heptanol 22.86
    ethylbenzene 6.89
    MIBK 18.15
    2-propoxyethanol 110.45
    tert-butanol 156.41
    MTBE 44.13
    2-butoxyethanol 66.47
    propionic acid 33.5
    o-xylene 7.84
    formic acid 194.79
    diethyl ether 36.26
    m-xylene 5.06
    p-xylene 7.49
    chlorobenzene 3.02
    dimethyl carbonate 38.2
    n-octane 1.93
    formamide 323.6
    cyclopentanone 75.46
    2-pentanone 34.79
    anisole 32.62
    cyclopentyl methyl ether 38.56
    gamma-butyrolactone 74.21
    1-methoxy-2-propanol 226.87
    pyridine 30.9
    3-pentanone 22.94
    furfural 84.18
    n-dodecane 1.71
    diethylene glycol 170.77
    diisopropyl ether 6.11
    tert-amyl alcohol 104.11
    acetylacetone 22.97
    n-hexadecane 1.71
    acetophenone 23.85
    methyl propionate 26.88
    isopentyl acetate 8.7
    trichloroethylene 20.11
    n-nonanol 20.59
    cyclohexanol 37.92
    benzyl alcohol 40.88
    2-ethylhexanol 14.39
    isooctanol 15.5
    dipropyl ether 20.8
    1,2-dichlorobenzene 4.3
    ethyl lactate 29.34
    propylene carbonate 22.48
    n-methylformamide 432.16
    2-pentanol 46.87
    n-pentane 4.83
    1-propoxy-2-propanol 55.69
    1-methoxy-2-propyl acetate 15.6
    2-(2-methoxypropoxy) propanol 52.18
    mesitylene 4.77
    ε-caprolactone 28.63
    p-cymene 4.61
    epichlorohydrin 121.96
    1,1,1-trichloroethane 8.27
    2-aminoethanol 306.46
    morpholine-4-carbaldehyde 217.64
    sulfolane 148.43
    2,2,4-trimethylpentane 1.81
    2-methyltetrahydrofuran 66.94
    n-hexyl acetate 11.78
    isooctane 1.28
    2-(2-butoxyethoxy)ethanol 62.6
    sec-butyl acetate 7.88
    tert-butyl acetate 11.28
    decalin 2.01
    glycerin 232.54
    diglyme 143.61
    acrylic acid 34.53
    isopropyl myristate 6.95
    n-butyric acid 27.84
    acetyl acetate 4.25
    di(2-ethylhexyl) phthalate 9.47
    ethyl propionate 17.31
    nitromethane 111.38
    1,2-diethoxyethane 22.33
    benzonitrile 14.56
    trioctyl phosphate 10.04
    1-bromopropane 18.37
    gamma-valerolactone 108.92
    n-decanol 16.56
    triethyl phosphate 12.28
    4-methyl-2-pentanol 22.05
    propionitrile 48.05
    vinylene carbonate 24.17
    1,1,2-trichlorotrifluoroethane 78.79
    DMS 8.56
    cumene 6.53
    2-octanol 14.33
    2-hexanone 29.77
    octyl acetate 10.0
    limonene 5.52
    1,2-dimethoxyethane 411.43
    ethyl orthosilicate 11.76
    tributyl phosphate 8.6
    diacetone alcohol 41.29
    N,N-dimethylaniline 40.18
    acrylonitrile 60.34
    aniline 16.68
    1,3-propanediol 262.56
    bromobenzene 2.14
    dibromomethane 17.41
    1,1,2,2-tetrachloroethane 24.95
    2-methyl-cyclohexyl acetate 8.89
    tetrabutyl urea 21.97
    diisobutyl methanol 9.79
    2-phenylethanol 20.19
    styrene 6.14
    dioctyl adipate 10.96
    dimethyl sulfate 85.89
    ethyl butyrate 11.69
    methyl lactate 55.1
    butyl lactate 14.56
    diethyl carbonate 10.36
    propanediol butyl ether 50.79
    triethyl orthoformate 12.93
    p-tert-butyltoluene 4.84
    methyl 4-tert-butylbenzoate 24.9
    morpholine 169.75
    tert-butylamine 73.0
    n-dodecanol 13.08
    dimethoxymethane 320.13
    ethylene carbonate 22.34
    cyrene 58.66
    2-ethoxyethyl acetate 10.04
    2-ethylhexyl acetate 6.19
    1,2,4-trichlorobenzene 4.79
    4-methylpyridine 34.81
    dibutyl ether 13.36
    2,6-dimethyl-4-heptanol 9.79
    DEF 102.84
    dimethyl isosorbide 58.48
    tetrachloroethylene 17.35
    eugenol 35.66
    triacetin 9.99
    span 80 26.03
    1,4-butanediol 134.43
    1,1-dichloroethane 14.68
    2-methyl-1-pentanol 44.5
    methyl formate 288.38
    2-methyl-1-butanol 75.02
    n-decane 2.4
    butyronitrile 44.85
    3,7-dimethyl-1-octanol 14.57
    1-chlorooctane 6.23
    1-chlorotetradecane 3.35
    n-nonane 2.34
    undecane 1.98
    tert-butylcyclohexane 1.99
    cyclooctane 1.59
    cyclopentanol 69.88
    tetrahydropyran 47.24
    tert-amyl methyl ether 36.41
    2,5,8-trioxanonane 104.17
    1-hexene 12.3
    2-isopropoxyethanol 99.7
    2,2,2-trifluoroethanol 47.36
    methyl butyrate 33.37

    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