Ethyl phenylacetate
TL;DR: Ethyl phenylacetate (CAS 101-97-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-phenylacetate
Also Known As: ETHYL PHENYLACETATE, ethyl 2-phenylacetate, Ethyl phenacetate, Benzeneacetic acid, ethyl ester, Ethyl benzeneacetate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| Melting Point | -29.4 °C |
| Boiling Point | 228 °C |
| Density | 1.0333 g/cu cm at 20 °C |
| Flash Point | 210 °F (99 °F) |
| Vapor Pressure | 0.06 [mmHg] |
| Refractive Index | Index of refraction: 1.4980 at 20 °C/D |
| Solubility | In water, 1,478 mg/L at 25 °C |
| SMILES | CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | DULCUDSUACXJJC-UHFFFAOYSA-N |
Product Description
Applications: Ethyl phenylacetate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ethyl phenylacetate (CAS 101-97-3) is a pharmaceutical intermediate with the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Key physical properties include a density of 1.0333 g/cu cm at 20 °C g/cm³, a solubility: In water, 1,478 mg/L at 25 °C. Synonyms include ETHYL PHENYLACETATE and ethyl 2-phenylacetate.
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 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
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 164.08372 g/mol.
What are the applications of Ethyl phenylacetate?
Ethyl phenylacetate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Ethyl phenylacetate?
You can request a quote for Ethyl phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl phenylacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.