Diethyl Malonate
TL;DR: Diethyl Malonate (CAS 105-53-3) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl propanedioate
Also Known As: DIETHYL MALONATE, Diethyl propanedioate, Ethyl malonate, Malonic ester, Dicarbethoxymethane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.07356 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.07356 Da |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
| Melting Point | -50 °C |
| Boiling Point | 200 °C |
| Density | 1.0551 g/cu cm at 20 °C |
| Flash Point | 200 °F (93 °C) (open cup) |
| Vapor Pressure | 0.26 [mmHg] |
| Refractive Index | Index of Refraction: 1.4139 at 20 °C |
| Solubility | In water, 20 g/L at 20 °C |
| SMILES | CCOC(=O)CC(=O)OCC |
| InChIKey | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
Product Description
Applications: Diethyl Malonate 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 Malonate (CAS 105-53-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Diethyl Malonate is a heterocyclic building block identified by CAS number 105-53-3 and the molecular formula C7H12O4 and a molecular weight of 160.07 g/mol. Physically, the compound has a density of 1.0551 g/cu cm at 20 °C g/cm³, a solubility: In water, 20 g/L at 20 °C. It is also known as DIETHYL MALONATE and Diethyl propanedioate.
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 Malonate
Property Insights of Diethyl Malonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl Malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl Malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl Malonate 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 Malonate?
The CAS number of Diethyl Malonate is 105-53-3.
What is the molecular formula of Diethyl Malonate?
The molecular formula of Diethyl Malonate is C7H12O4.
What is the molecular weight of Diethyl Malonate?
The molecular weight of Diethyl Malonate is 160.07356 g/mol.
What are the applications of Diethyl Malonate?
Diethyl Malonate 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 Malonate (CAS 105-53-3) with...
Where can I buy Diethyl Malonate?
You can request a quote for Diethyl Malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl Malonate?
Yes, CoreyChem provides custom synthesis services for Diethyl Malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.