Benzoic acid, 2-hydroxy-, octyl ester
TL;DR: Benzoic acid, 2-hydroxy-, octyl ester (CAS 6969-49-9) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-hydroxybenzoate
Also Known As: Octyl salicylate, octyl 2-hydroxybenzoate, Salicylic acid, octyl ester, Salicylate de n-octyle, n-Octyl salicylate
| Molecular Formula | C15H22O3 |
|---|---|
| Molecular Weight | 250.16 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.15689 |
| Heavy Atoms | 18 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 6969-49-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1O |
| InChIKey | WCJLCOAEJIHPCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-hydroxy-, octyl ester (CAS 6969-49-9), with molecular formula C15H22O3 and molecular weight 250.16 g/mol. IUPAC: octyl 2-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 2-hydroxy-, octyl ester
Property Insights of Benzoic acid, 2-hydroxy-, octyl ester
The XLogP value of 6.8 indicates that Benzoic acid, 2-hydroxy-, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 2-hydroxy-, octyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-, octyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-hydroxy-, octyl ester?
The CAS number of Benzoic acid, 2-hydroxy-, octyl ester is 6969-49-9.
What is the molecular formula of Benzoic acid, 2-hydroxy-, octyl ester?
The molecular formula of Benzoic acid, 2-hydroxy-, octyl ester is C15H22O3.
What is the molecular weight of Benzoic acid, 2-hydroxy-, octyl ester?
The molecular weight of Benzoic acid, 2-hydroxy-, octyl ester is 250.16 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-, octyl ester?
You can request a quote for Benzoic acid, 2-hydroxy-, octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-hydroxy-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.