乙二酸二乙酯
TL;DR: 乙二酸二乙酯 (CAS 95-92-1) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙二酸二乙酯
diethyl oxalate
Also Known As: DIETHYL OXALATE, Ethyl oxalate, diethyloxalate, Oxalic ether, Diethyl ethanedioate
| Molecular Formula | C6H10O4 |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| Melting Point | -38.5 °C |
| Boiling Point | 185.7 °C @ 760 MM HG |
| Density | 1.0785 @ 20 °C |
| Solubility | SPARINGLY SOL IN WATER WHICH DECOMP IT GRADUALLY; MISCIBLE WITH USUAL ORG SOLVENTS |
| Flash Point | 75.6 °C (NFPA, 2010) |
| Vapor Pressure | 0.41 [mmHg] |
| Refractive Index | 1.4101 @ 20 °C; SADTLER REFERENCE NUMBER: 5267 (IR, PRISM); MAX ABSORPTION (ALCOHOL): 225 NM (LOG E= 2.6) |
Chemical Identifiers
| CAS Number | 95-92-1 |
|---|---|
| SMILES | CCOC(=O)C(=O)OCC |
| InChIKey | WYACBZDAHNBPPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙二酸二乙酯 (CAS 95-92-1), with molecular formula C6H10O4 and molecular weight 146.06 g/mol. IUPAC: diethyl oxalate.
Chemical Property Profile of 乙二酸二乙酯
Property Insights of 乙二酸二乙酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙二酸二乙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 乙二酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙二酸二乙酯 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
Frequently Asked Questions
What is the CAS number of 乙二酸二乙酯?
The CAS number of 乙二酸二乙酯 is 95-92-1.
What is the molecular formula of 乙二酸二乙酯?
The molecular formula of 乙二酸二乙酯 is C6H10O4.
What is the molecular weight of 乙二酸二乙酯?
The molecular weight of 乙二酸二乙酯 is 146.06 g/mol.
Where can I buy 乙二酸二乙酯?
You can request a quote for 乙二酸二乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙二酸二乙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙二酸二乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.