Octanoic acid, 3-methylphenyl ester
TL;DR: Octanoic acid, 3-methylphenyl ester (CAS 6716-86-5) 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.
(3-methylphenyl) octanoate
Also Known As: (3-methylphenyl) octanoate, Octanoic acid, 3-methylphenyl ester, 3-methylphenyl octanoate, octanoic acid m-tolyl ester, Octanoic acid,3-methylphenyl ester
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 6716-86-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=CC(=C1)C |
| InChIKey | VPZWDKNEKVKFOJ-UHFFFAOYSA-N |
Product Overview
Octanoic acid, 3-methylphenyl ester (CAS 6716-86-5), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (3-methylphenyl) octanoate.
Chemical Property Profile of Octanoic acid, 3-methylphenyl ester
Property Insights of Octanoic acid, 3-methylphenyl ester
The XLogP value of 5.1 indicates that Octanoic acid, 3-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octanoic acid, 3-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 3-methylphenyl ester 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 Octanoic acid, 3-methylphenyl ester?
The CAS number of Octanoic acid, 3-methylphenyl ester is 6716-86-5.
What is the molecular formula of Octanoic acid, 3-methylphenyl ester?
The molecular formula of Octanoic acid, 3-methylphenyl ester is C15H22O2.
What is the molecular weight of Octanoic acid, 3-methylphenyl ester?
The molecular weight of Octanoic acid, 3-methylphenyl ester is 234.16 g/mol.
Where can I buy Octanoic acid, 3-methylphenyl ester?
You can request a quote for Octanoic acid, 3-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 3-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 3-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.