Benzyl octanoate
TL;DR: Benzyl octanoate (CAS 10276-85-4) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl octanoate
Also Known As: Benzyl octanoate, Benzyl caprylate, Octanoic acid, phenylmethyl ester, Benzyl n-octanoate, BENZYLCAPRYLATE
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 10276-85-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | MWQWCHLIPMDVLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl octanoate (CAS 10276-85-4), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: benzyl octanoate.
Chemical Property Profile of Benzyl octanoate
Property Insights of Benzyl octanoate
The XLogP value of 4.6 indicates that Benzyl octanoate 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 octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl octanoate 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 octanoate?
The CAS number of Benzyl octanoate is 10276-85-4.
What is the molecular formula of Benzyl octanoate?
The molecular formula of Benzyl octanoate is C15H22O2.
What is the molecular weight of Benzyl octanoate?
The molecular weight of Benzyl octanoate is 234.16 g/mol.
Where can I buy Benzyl octanoate?
You can request a quote for Benzyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.