乙酸苄酯
TL;DR: 乙酸苄酯 (CAS 140-11-4) 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.
乙酸苄酯
benzyl acetate
Also Known As: BENZYL ACETATE, Benzyl ethanoate, Phenylmethyl acetate, Acetic acid benzyl ester, benzylacetate
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.0 |
| 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 | -51.5 °C |
| Boiling Point | 215.5 °C at 760 mmHg |
| Density | 1.04 |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | 90.6 °C (NFPA, 2010) |
| Vapor Pressure | 1 mmHg at 45.0 °C ; 10 mmHg at 87.6 °C |
| Refractive Index | INDICES OF REFRACTION: 1.5232 @ 20 °C; 1.4998 @ 25 °C |
Chemical Identifiers
| CAS Number | 140-11-4 |
|---|---|
| SMILES | CC(=O)OCC1=CC=CC=C1 |
| InChIKey | QUKGYYKBILRGFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸苄酯 (CAS 140-11-4), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: benzyl acetate.
Chemical Property Profile of 乙酸苄酯
Property Insights of 乙酸苄酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸苄酯. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸苄酯 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 乙酸苄酯?
The CAS number of 乙酸苄酯 is 140-11-4.
What is the molecular formula of 乙酸苄酯?
The molecular formula of 乙酸苄酯 is C9H10O2.
What is the molecular weight of 乙酸苄酯?
The molecular weight of 乙酸苄酯 is 150.07 g/mol.
Where can I buy 乙酸苄酯?
You can request a quote for 乙酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.