Dimethyl oxalate
TL;DR: Dimethyl oxalate (CAS 553-90-2) is a chemical compound with molecular formula C4H6O4 and molecular weight 118.02661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl oxalate
Also Known As: Dimethyl oxalate, METHYL OXALATE, Dimethyloxalate, Oxalic acid dimethyl ester, Ethanedioic acid, dimethyl ester
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.02661 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.02661 Da |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
| Boiling Point | 163.5 °C @760 [mm Hg] |
| Density | 1.148 @25 °C |
| Vapor Pressure | 1.14 [mmHg] |
| SMILES | COC(=O)C(=O)OC |
| InChIKey | LOMVENUNSWAXEN-UHFFFAOYSA-N |
Product Description
Applications: Dimethyl oxalate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dimethyl oxalate (CAS 553-90-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Dimethyl oxalate is a heterocyclic building block identified by CAS number 553-90-2 and the molecular formula C4H6O4 and a molecular weight of 118.03 g/mol. Physically, the compound has a density of 1.148 @25 °C g/cm³. It is also known as Dimethyl oxalate and METHYL 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 Dimethyl oxalate
Property Insights of Dimethyl oxalate
The XLogP value of -0.2 indicates that Dimethyl oxalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl oxalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 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 Dimethyl oxalate?
The CAS number of Dimethyl oxalate is 553-90-2.
What is the molecular formula of Dimethyl oxalate?
The molecular formula of Dimethyl oxalate is C4H6O4.
What is the molecular weight of Dimethyl oxalate?
The molecular weight of Dimethyl oxalate is 118.02661 g/mol.
What are the applications of Dimethyl oxalate?
Dimethyl oxalate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dimethyl oxalate...
Where can I buy Dimethyl oxalate?
You can request a quote for Dimethyl oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl oxalate?
Yes, CoreyChem provides custom synthesis services for Dimethyl oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.