Phenethyl phenylacetate
TL;DR: Phenethyl phenylacetate (CAS 102-20-5) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethyl 2-phenylacetate
Also Known As: Phenethyl phenylacetate, 2-Phenylethyl phenylacetate, phenethyl 2-phenylacetate, Phenylethyl phenylacetate, 2-phenylethyl 2-phenylacetate
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.11504 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.11504 Da |
| Heavy Atoms | 18 |
| Complexity | 237.0 |
| Melting Point | 28 °C |
| Boiling Point | 324.00 to 325.00 °C. @ 760.00 mm Hg |
| Density | 1.079-1.082 |
| Refractive Index | 1.545-1.551 |
| Solubility | Insoluble in water; soluble in oils |
| SMILES | C1=CC=C(C=C1)CCOC(=O)CC2=CC=CC=C2 |
| InChIKey | ZOZIRNMDEZKZHM-UHFFFAOYSA-N |
Chemical Property Profile of Phenethyl phenylacetate
Property Insights of Phenethyl phenylacetate
The XLogP value of 3.9 indicates that Phenethyl 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, Phenethyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl 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 Phenethyl phenylacetate?
The CAS number of Phenethyl phenylacetate is 102-20-5.
What is the molecular formula of Phenethyl phenylacetate?
The molecular formula of Phenethyl phenylacetate is C16H16O2.
What is the molecular weight of Phenethyl phenylacetate?
The molecular weight of Phenethyl phenylacetate is 240.11504 g/mol.
Where can I buy Phenethyl phenylacetate?
You can request a quote for Phenethyl phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenethyl phenylacetate?
Yes, CoreyChem provides custom synthesis services for Phenethyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.