苯甲酸乙酯
TL;DR: 苯甲酸乙酯 (CAS 93-89-0) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸乙酯
ethyl benzoate
Also Known As: ETHYL BENZOATE, Benzoic ether, Benzoic acid, ethyl ester, ethylbenzoate, Ethyl benzenecarboxylate
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| Melting Point | -34 °C |
| Boiling Point | 75.50 °C. @ 760.00 mm Hg |
| Density | 1.043-1.050 |
| Solubility | 0.72 mg/mL at 25 °C |
| Vapor Pressure | 0.26 [mmHg] |
| Refractive Index | 1.502-1.508 |
Chemical Identifiers
| CAS Number | 93-89-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1 |
| InChIKey | MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸乙酯 (CAS 93-89-0), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: ethyl benzoate.
Chemical Property Profile of 苯甲酸乙酯
Property Insights of 苯甲酸乙酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 苯甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸乙酯 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
Frequently Asked Questions
What is the CAS number of 苯甲酸乙酯?
The CAS number of 苯甲酸乙酯 is 93-89-0.
What is the molecular formula of 苯甲酸乙酯?
The molecular formula of 苯甲酸乙酯 is C9H10O2.
What is the molecular weight of 苯甲酸乙酯?
The molecular weight of 苯甲酸乙酯 is 150.07 g/mol.
Where can I buy 苯甲酸乙酯?
You can request a quote for 苯甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.