Benzyl phenylacetate
TL;DR: Benzyl phenylacetate (CAS 102-16-9) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-phenylacetate
Also Known As: Benzyl phenylacetate, benzyl 2-phenylacetate, Benzyl benzeneacetate, Benzyl alpha-toluate, benzylphenylacetate
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
| Boiling Point | 318.00 to 320.00 °C. @ 760.00 mm Hg |
| Density | 1.1 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Refractive Index | 1.552-1.560 |
Chemical Identifiers
| CAS Number | 102-16-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2 |
| InChIKey | MIYFJEKZLFWKLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl phenylacetate (CAS 102-16-9), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: benzyl 2-phenylacetate.
Chemical Property Profile of Benzyl phenylacetate
Property Insights of Benzyl phenylacetate
The XLogP value of 3.2 indicates that Benzyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl phenylacetate?
The CAS number of Benzyl phenylacetate is 102-16-9.
What is the molecular formula of Benzyl phenylacetate?
The molecular formula of Benzyl phenylacetate is C15H14O2.
What is the molecular weight of Benzyl phenylacetate?
The molecular weight of Benzyl phenylacetate is 226.10 g/mol.
Where can I buy Benzyl phenylacetate?
You can request a quote for Benzyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.