Ethyl benzoate
TL;DR: Ethyl benzoate (CAS 93-89-0) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl benzoate
Also Known As: ETHYL BENZOATE, Benzoic ether, Benzoic acid, ethyl ester, ethylbenzoate, Ethyl benzenecarboxylate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| Melting Point | -34 °C |
| Boiling Point | 75.50 °C. @ 760.00 mm Hg |
| Density | 1.043-1.050 |
| Vapor Pressure | 0.26 [mmHg] |
| Refractive Index | 1.502-1.508 |
| Solubility | 0.72 mg/mL at 25 °C |
| SMILES | CCOC(=O)C1=CC=CC=C1 |
| InChIKey | MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
Product Description
Applications: Ethyl benzoate is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl benzoate (CAS 93-89-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, Ethyl benzoate (CAS 93-89-0) has the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Reported properties include a density of 1.043-1.050 g/cm³, a solubility: 0.72 mg/mL at 25 °C. It is also known as ETHYL BENZOATE and Benzoic ether.
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 Ethyl benzoate
Property Insights of Ethyl benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl benzoate?
The CAS number of Ethyl benzoate is 93-89-0.
What is the molecular formula of Ethyl benzoate?
The molecular formula of Ethyl benzoate is C9H10O2.
What is the molecular weight of Ethyl benzoate?
The molecular weight of Ethyl benzoate is 150.06808 g/mol.
What are the applications of Ethyl benzoate?
Ethyl benzoate is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl benzoate (CAS 93-89-0) with custom synthesis available...
Where can I buy Ethyl benzoate?
You can request a quote for Ethyl benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.