Diethyl Carbonate
TL;DR: Diethyl Carbonate (CAS 105-58-8) is a chemical compound with molecular formula C5H10O3 and molecular weight 118.062996 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl carbonate
Also Known As: DIETHYL CARBONATE, Ethyl carbonate, Eufin, Diatol, Carbonic ether
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O3 |
| Molecular Weight | 118.062996 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.062996 Da |
| Heavy Atoms | 8 |
| Complexity | 62.0 |
| Melting Point | -45 °F (NTP, 1992) |
| Boiling Point | 259 °F at 760 mmHg (NTP, 1992) |
| Density | 0.975 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 77 °F (NTP, 1992) |
| Vapor Pressure | 10 mmHg at 74.8 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.3845 @ 20 °C/D; Sadtler ref number: 8024 (IR, prism); 290 (NMR) |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | CCOC(=O)OCC |
| InChIKey | OIFBSDVPJOWBCH-UHFFFAOYSA-N |
Product Description
Applications: Diethyl Carbonate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Diethyl Carbonate (CAS 105-58-8) has the molecular formula C5H10O3 and a molecular weight of 118.06 g/mol. Reported properties include a density of 0.975 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Insoluble (NTP, 1992). Synonyms include DIETHYL CARBONATE and Ethyl carbonate.
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 Carbonate
Property Insights of Diethyl Carbonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl Carbonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl Carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl Carbonate has 0 hydrogen bond donor(s) and 3 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 Carbonate?
The CAS number of Diethyl Carbonate is 105-58-8.
What is the molecular formula of Diethyl Carbonate?
The molecular formula of Diethyl Carbonate is C5H10O3.
What is the molecular weight of Diethyl Carbonate?
The molecular weight of Diethyl Carbonate is 118.062996 g/mol.
What are the applications of Diethyl Carbonate?
Diethyl Carbonate 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. Available from CoreyChem as both catalog item and...
Where can I buy Diethyl Carbonate?
You can request a quote for Diethyl Carbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl Carbonate?
Yes, CoreyChem provides custom synthesis services for Diethyl Carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.