Ethyl phenylacetate
TL;DR: Ethyl phenylacetate (CAS 101-97-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-phenylacetate
Also Known As: ETHYL PHENYLACETATE, ethyl 2-phenylacetate, Ethyl phenacetate, Benzeneacetic acid, ethyl ester, Ethyl benzeneacetate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| Melting Point | -29.4 °C |
| Boiling Point | 228 °C |
| Density | 1.0333 g/cu cm at 20 °C |
| Solubility | In water, 1,478 mg/L at 25 °C |
| Flash Point | 98.9 °C (37.2 °C) |
| Vapor Pressure | 0.06 [mmHg] |
| Refractive Index | 1.4980 at 20 °C |
Chemical Identifiers
| CAS Number | 101-97-3 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | DULCUDSUACXJJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl phenylacetate (CAS 101-97-3), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: ethyl 2-phenylacetate.
Chemical Property Profile of Ethyl phenylacetate
Property Insights of Ethyl phenylacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl phenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl phenylacetate 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 Ethyl phenylacetate?
The CAS number of Ethyl phenylacetate is 101-97-3.
What is the molecular formula of Ethyl phenylacetate?
The molecular formula of Ethyl phenylacetate is C10H12O2.
What is the molecular weight of Ethyl phenylacetate?
The molecular weight of Ethyl phenylacetate is 164.08 g/mol.
Where can I buy Ethyl phenylacetate?
You can request a quote for Ethyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.