Diethyl Oxalacetate - ≥95%(GC) , CAS No.108-56-5

CAS: 108-56-5 Cat. No.: D138004 Molecular Weight: 188.18 EC Number: 203-594-1

GRADE & PURITY ≥95%(GC)

Synonyms

2-Oxo-succinic acid diethyl ester | Oxalacetic acid, diethyl ester | SY045304 | DTXSID60148351 | FT-0631606 | Butanedioic acid, oxo-, diethyl ester (9CI) | MFCD00511083 | 1,4-diethyl 2-oxobutanedioate | Oxalacetic acid diethyl ester, 90% | diethyl 2-oxosu

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Application

Diethyl Oxalacetate is an allosteric inhibitor of human m-NAD(P)-ME.

Specifications

Synonyms

2-Oxo-succinic acid diethyl ester | Oxalacetic acid, diethyl ester | SY045304 | DTXSID60148351 | FT-0631606 | Butanedioic acid, oxo-, diethyl ester (9CI) | MFCD00511083 | 1, 4-diethyl 2-oxobutanedioate | Oxalacetic acid diethyl ester, 90% | diethyl 2-oxosu

Specifications & Purity

≥95%(GC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488183882
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183882
• Canonical Smiles: CCOC(=O)CC(=O)C(=O)OCC
• IUPAC Name: diethyl 2-oxobutanedioate
• InChIKey: JDXYSCUOABNLIR-UHFFFAOYSA-N
• INCHI: 1S/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3
• Isomeric SMILES: CCOC(=O)CC(=O)C(=O)OCC
• Molecular Weight: 188.18
• Reaxy-Rn: 908745
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=908745&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Keto acids and derivatives
      • Subclass Beta-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Keto acids and derivatives
• Subclass: Beta-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta-keto acids and derivatives
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Alpha-keto acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Alpha-keto acid - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
• External Descriptors: oxo carboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Insoluble in water; Miscible with Ether,Alcohol,Benzene
• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.45
• Boil Point(°C): 87 °C/1 mmHg
• Molecular Weight: 188.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 188.068 Da
• Monoisotopic Mass: 188.068 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 209.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Jin Shouheng, He Xing, Wang Zheyu, Zhou Tao, Wang Jun, Pan Guihong, Zhang Yin, Ma Ling, Yang Shuai, Wang Liqiu, Wu Yaoxing, Zou Yilin, Qi Nan, Cui Jun.  (2025)  Oxaloacetate sensing promotes innate immune antiviral defence against influenza virus infection.  Nature Microbiology,      [PMID:40983701] [10.1038/s41564-025-02107-3]