3-Ethoxytoluene
TL;DR: 3-Ethoxytoluene (CAS 621-32-9) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-3-methylbenzene
Also Known As: 1-Ethoxy-3-methylbenzene, m-Ethoxytoluene, m-Methylphenetole, 3-Ethoxytoluene, Ethyl m-tolyl ether
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 621-32-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C |
| InChIKey | UALKQROXOHJHFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxytoluene (CAS 621-32-9), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 1-ethoxy-3-methylbenzene.
Chemical Property Profile of 3-Ethoxytoluene
Property Insights of 3-Ethoxytoluene
The XLogP value of 3.0 indicates that 3-Ethoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Ethoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxytoluene has 0 hydrogen bond donor(s) and 1 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 3-Ethoxytoluene?
The CAS number of 3-Ethoxytoluene is 621-32-9.
What is the molecular formula of 3-Ethoxytoluene?
The molecular formula of 3-Ethoxytoluene is C9H12O.
What is the molecular weight of 3-Ethoxytoluene?
The molecular weight of 3-Ethoxytoluene is 136.09 g/mol.
Where can I buy 3-Ethoxytoluene?
You can request a quote for 3-Ethoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.