1-Phenylethyl Acetate
TL;DR: 1-Phenylethyl Acetate (CAS 93-92-5) 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.
1-phenylethyl acetate
Also Known As: 1-Phenylethyl acetate, Styralyl acetate, Styrallyl acetate, Gardenol, Gardeniol II
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Boiling Point | 94.00 to 95.00 °C. @ 12.00 mm Hg |
| Density | 1.020-1.035 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.492-1.504 |
Chemical Identifiers
| CAS Number | 93-92-5 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)OC(=O)C |
| InChIKey | QUMXDOLUJCHOAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylethyl Acetate (CAS 93-92-5), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 1-phenylethyl acetate.
Chemical Property Profile of 1-Phenylethyl Acetate
Property Insights of 1-Phenylethyl Acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylethyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Phenylethyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethyl 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 1-Phenylethyl Acetate?
The CAS number of 1-Phenylethyl Acetate is 93-92-5.
What is the molecular formula of 1-Phenylethyl Acetate?
The molecular formula of 1-Phenylethyl Acetate is C10H12O2.
What is the molecular weight of 1-Phenylethyl Acetate?
The molecular weight of 1-Phenylethyl Acetate is 164.08 g/mol.
Where can I buy 1-Phenylethyl Acetate?
You can request a quote for 1-Phenylethyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.