Phenyl acetate
TL;DR: Phenyl acetate (CAS 122-79-2) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl acetate
Also Known As: PHENYL ACETATE, Phenol acetate, Acetylphenol, Acetic acid, phenyl ester, phenylacetate
| Molecular Formula | C8H8O2 |
|---|---|
| Molecular Weight | 136.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.05243 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| Melting Point | -30 °C |
| Boiling Point | 196 °C |
| Density | 1.073 @ 20 °C |
| Solubility | PRACTICALLY INSOL IN WATER; SOL IN GLACIAL ACETIC ACID; MISCIBLE WITH ALCOHOL, CHLOROFORM, ETHER |
| Flash Point | 80.0 °C (NFPA, 2010) |
| Refractive Index | 1.5030 @ 20 °C (ALMOST THE SAME AS GLASS); HIGHLY REFRACTIVE |
Chemical Identifiers
| CAS Number | 122-79-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1 |
| InChIKey | IPBVNPXQWQGGJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl acetate (CAS 122-79-2), with molecular formula C8H8O2 and molecular weight 136.05 g/mol. IUPAC: phenyl acetate.
Chemical Property Profile of Phenyl acetate
Property Insights of Phenyl acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl acetate 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 Phenyl acetate?
The CAS number of Phenyl acetate is 122-79-2.
What is the molecular formula of Phenyl acetate?
The molecular formula of Phenyl acetate is C8H8O2.
What is the molecular weight of Phenyl acetate?
The molecular weight of Phenyl acetate is 136.05 g/mol.
Where can I buy Phenyl acetate?
You can request a quote for Phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.