Diethyl Phthalate
TL;DR: Diethyl Phthalate (CAS 84-66-2) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl benzene-1,2-dicarboxylate
Also Known As: DIETHYL PHTHALATE, Ethyl phthalate, Anozol, Neantine, Phthalol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.0892 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 Da |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
| Melting Point | 27 °F (NTP, 1992) |
| Boiling Point | 568 °F at 760 mmHg (NTP, 1992) |
| Density | 1.12 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 284 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 227.8 °F ; 5 mmHg at 285.3 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5002 at 25 °C/D |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CCOC(=O)C1=CC=CC=C1C(=O)OCC |
| InChIKey | FLKPEMZONWLCSK-UHFFFAOYSA-N |
Product Description
Applications: Diethyl Phthalate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diethyl Phthalate (CAS 84-66-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Diethyl Phthalate (CAS 84-66-2) has the molecular formula C12H14O4 and a molecular weight of 222.09 g/mol. Reported properties include a density of 1.12 at 68 °F (USCG, 1999) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as DIETHYL PHTHALATE and Ethyl phthalate.
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 Phthalate
Property Insights of Diethyl Phthalate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl Phthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl Phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl Phthalate 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 Phthalate?
The CAS number of Diethyl Phthalate is 84-66-2.
What is the molecular formula of Diethyl Phthalate?
The molecular formula of Diethyl Phthalate is C12H14O4.
What is the molecular weight of Diethyl Phthalate?
The molecular weight of Diethyl Phthalate is 222.0892 g/mol.
What are the applications of Diethyl Phthalate?
Diethyl Phthalate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diethyl Phthalate (CAS 84-66-2) with custom synthesis...
Where can I buy Diethyl Phthalate?
You can request a quote for Diethyl Phthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl Phthalate?
Yes, CoreyChem provides custom synthesis services for Diethyl Phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.