Diethyl oxalate - AR, ≥99%, used for Diethyl oxalate was used in microemulsion synthesis of ZnO nanoparticles. It was also used in the synthesis of sym-1,4-diphenyl-1,4-dihydro-1,2,4,5-polytetrazine. various applications , CAS No.95-92-1

CAS: 95-92-1 Cat. No.: D110943 Formula: C₆H₁₀O₄ Molecular Weight: 146.14 Beilstein Registry Number: 606350 EC Number: 202-464-1

GRADE & PURITY AR, ≥99%

Synonyms

Diethyl ethanedioate

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Diethyl oxalate undergoes transesterification with phenol in the liquid phase over very efficient MoO3/TiO2 solid-acid sol-gel catalysts to form diphenyl oxalate. It undergoes Claisen condensation with active methylene group of ketosteroids to form glyoxalyl derivatives. It undergoes hydrogenation in the presence of high copper contented mesoporous Cu/SBA-15 catalysts to yield ethylene glycol.

Diethyl oxalate is used to prepare active pharmaceutical ingredients (API), plastics and dyestuff intermediates. It is also used as a solvent for cellulose esters, ethers, resins, perfumes and lacquers for electronics. It is involved in the transesterification reaction with phenol to get dipheny oxalate. It is also involved in the Claisen condensation ketosteroids to prepare glyoxalyl derivatives. Further, it is used to prepare sym-1,4-diphenyl-1,4-dihydro-1,2,4,5-polytetrazine. In addition to this, it is utilized in the microemulsion synthesis of zinc oxide nanoparticles.

Specifications

Synonyms

Diethyl ethanedioate

Specifications & Purity

AR, ≥99%

Application

Diethyl oxalate was used in microemulsion synthesis of ZnO nanoparticles. It was also used in the synthesis of sym-1,4-diphenyl-1,4-dihydro-1,2,4,5-polytetrazine.

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

AR

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 508816473
• Canonical Smiles: CCOC(=O)C(=O)OCC
• IUPAC Name: diethyl oxalate
• InChIKey: WYACBZDAHNBPPB-UHFFFAOYSA-N
• INCHI: 1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
• Isomeric SMILES: CCOC(=O)C(=O)OCC
• WGK Germany: 1
• RTECS: RO2800000
• UN Number: 2525
• Packing Group: III
• Molecular Weight: 146.14
• Beilstein: 606350
• Reaxy-Rn: 606350
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606350&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

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: Miscible with alcohols, ether and other common organic solvents.
• Sensitivity: Moisture sensitive.
• x_refractive_index: 1.4101
• x_flash_point_drop_fahrenheit: 168.8℉
• x_flash_point_drop_centigrade: 76°C
• x_boil_point_char: 185°C
• x_melt_point_char: -41°C
• Molecular Weight: 146.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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