乙酸苯乙酯
TL;DR: 乙酸苯乙酯 (CAS 103-45-7) 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.
乙酸苯乙酯
2-phenylethyl acetate
Also Known As: Phenethyl acetate, 2-Phenylethyl acetate, 2-Phenethyl acetate, Benzylcarbinyl acetate, beta-Phenylethyl acetate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| Melting Point | -31.1 °C |
| Boiling Point | 238.00 to 239.00 °C. @ 760.00 mm Hg |
| Density | 1.030-1.034 |
| Solubility | Insoluble in water; soluble in oils, propylene glycol |
| Refractive Index | 1.496-1.502 |
Chemical Identifiers
| CAS Number | 103-45-7 |
|---|---|
| SMILES | CC(=O)OCCC1=CC=CC=C1 |
| InChIKey | MDHYEMXUFSJLGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸苯乙酯 (CAS 103-45-7), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2-phenylethyl acetate.
Chemical Property Profile of 乙酸苯乙酯
Property Insights of 乙酸苯乙酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸苯乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸苯乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸苯乙酯 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 乙酸苯乙酯?
The CAS number of 乙酸苯乙酯 is 103-45-7.
What is the molecular formula of 乙酸苯乙酯?
The molecular formula of 乙酸苯乙酯 is C10H12O2.
What is the molecular weight of 乙酸苯乙酯?
The molecular weight of 乙酸苯乙酯 is 164.08 g/mol.
Where can I buy 乙酸苯乙酯?
You can request a quote for 乙酸苯乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸苯乙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸苯乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.