Octyl 3-methylbenzoate
TL;DR: Octyl 3-methylbenzoate (CAS 67460-70-2) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 3-methylbenzoate
Also Known As: Octyl 3-methylbenzoate, m-Toluic acid, octyl ester, Octyl 3-methylbenzoate #, m-Toluylic acid, octyl ester
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 67460-70-2 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=CC(=C1)C |
| InChIKey | HGEOTNHWCJQOTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl 3-methylbenzoate (CAS 67460-70-2), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: octyl 3-methylbenzoate.
Chemical Property Profile of Octyl 3-methylbenzoate
Property Insights of Octyl 3-methylbenzoate
The XLogP value of 6.1 indicates that Octyl 3-methylbenzoate 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 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 3-methylbenzoate 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 3-methylbenzoate?
The CAS number of Octyl 3-methylbenzoate is 67460-70-2.
What is the molecular formula of Octyl 3-methylbenzoate?
The molecular formula of Octyl 3-methylbenzoate is C16H24O2.
What is the molecular weight of Octyl 3-methylbenzoate?
The molecular weight of Octyl 3-methylbenzoate is 248.18 g/mol.
Where can I buy Octyl 3-methylbenzoate?
You can request a quote for Octyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.