Benzylpropyl acetate
TL;DR: Benzylpropyl acetate (CAS 7492-40-2) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbutyl acetate
Also Known As: Benzylpropyl acetate, 4-phenylbutyl acetate, Phenylbutylacetat, Benzenebutanol, acetate, 1-Butanol, acetate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 7492-40-2 |
|---|---|
| SMILES | CC(=O)OCCCCC1=CC=CC=C1 |
| InChIKey | NRLAFFPEVBOYCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylpropyl acetate (CAS 7492-40-2), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 4-phenylbutyl acetate.
Chemical Property Profile of Benzylpropyl acetate
Property Insights of Benzylpropyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylpropyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Benzylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylpropyl 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 Benzylpropyl acetate?
The CAS number of Benzylpropyl acetate is 7492-40-2.
What is the molecular formula of Benzylpropyl acetate?
The molecular formula of Benzylpropyl acetate is C12H16O2.
What is the molecular weight of Benzylpropyl acetate?
The molecular weight of Benzylpropyl acetate is 192.12 g/mol.
Where can I buy Benzylpropyl acetate?
You can request a quote for Benzylpropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylpropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.