Diethyl Oxalate
TL;DR: Diethyl Oxalate (CAS 95-92-1) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
草酸二乙酯
diethyl oxalate
Also Known As: DIETHYL OXALATE, Ethyl oxalate, diethyloxalate, Oxalic ether, Diethyl ethanedioate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O4 |
| Molecular Weight | 146.0579 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0579 Da |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| Melting Point | -38.5 °C |
| Boiling Point | 185.7 °C @ 760 MM HG |
| Density | 1.0785 @ 20 °C/4 °C |
| Flash Point | 168 °F (NFPA, 2010) |
| Vapor Pressure | 0.41 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4101 @ 20 °C/D; SADTLER REFERENCE NUMBER: 5267 (IR, PRISM); MAX ABSORPTION (ALCOHOL): 225 NM (LOG E= 2.6) |
| Solubility | SPARINGLY SOL IN WATER WHICH DECOMP IT GRADUALLY; MISCIBLE WITH USUAL ORG SOLVENTS |
| SMILES | CCOC(=O)C(=O)OCC |
| InChIKey | WYACBZDAHNBPPB-UHFFFAOYSA-N |
Product Description
Applications: Diethyl Oxalate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diethyl Oxalate (CAS 95-92-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Diethyl Oxalate (CAS 95-92-1) is a heterocyclic building block with the molecular formula C6H10O4 and a molecular weight of 146.06 g/mol. Key physical properties include a density of 1.0785 @ 20 °C/4 °C g/cm³, a solubility: SPARINGLY SOL IN WATER WHICH DECOMP IT GRADUALLY; MISCIBLE WITH USUAL ORG SOLVENTS. It is also known as DIETHYL OXALATE and Ethyl oxalate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Diethyl Oxalate
Property Insights of Diethyl Oxalate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl Oxalate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl Oxalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl Oxalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl Oxalate?
The CAS number of Diethyl Oxalate is 95-92-1.
What is the molecular formula of Diethyl Oxalate?
The molecular formula of Diethyl Oxalate is C6H10O4.
What is the molecular weight of Diethyl Oxalate?
The molecular weight of Diethyl Oxalate is 146.0579 g/mol.
What are the applications of Diethyl Oxalate?
Diethyl Oxalate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diethyl Oxalate (CAS 95-92-1) with...
Where can I buy Diethyl Oxalate?
You can request a quote for Diethyl Oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl Oxalate?
Yes, CoreyChem provides custom synthesis services for Diethyl Oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.