Octyl benzoate
TL;DR: Octyl benzoate (CAS 94-50-8) 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.
octyl benzoate
Also Known As: Octyl benzoate, n-Octyl benzoate, octylbenzoate, Benzoic acid, octyl ester, capryl benzoate
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 5.7 |
| 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 | 94-50-8 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1 |
| InChIKey | VECVSKFWRQYTAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl benzoate (CAS 94-50-8), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: octyl benzoate.
Chemical Property Profile of Octyl benzoate
Property Insights of Octyl benzoate
The XLogP value of 5.7 indicates that Octyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl benzoate?
The CAS number of Octyl benzoate is 94-50-8.
What is the molecular formula of Octyl benzoate?
The molecular formula of Octyl benzoate is C15H22O2.
What is the molecular weight of Octyl benzoate?
The molecular weight of Octyl benzoate is 234.16 g/mol.
Where can I buy Octyl benzoate?
You can request a quote for Octyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.