3-Ethyltoluene
TL;DR: 3-Ethyltoluene (CAS 620-14-4) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-methylbenzene
Also Known As: 3-Ethyltoluene, 1-Ethyl-3-methylbenzene, M-ETHYLTOLUENE, m-Methylethylbenzene, m-Ethylmethylbenzene
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
| Vapor Pressure | 3.04 [mmHg] |
Chemical Identifiers
| CAS Number | 620-14-4 |
|---|---|
| SMILES | CCC1=CC=CC(=C1)C |
| InChIKey | ZLCSFXXPPANWQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyltoluene (CAS 620-14-4), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 1-ethyl-3-methylbenzene.
Chemical Property Profile of 3-Ethyltoluene
Property Insights of 3-Ethyltoluene
The XLogP value of 3.6 indicates that 3-Ethyltoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Ethyltoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyltoluene has 0 hydrogen bond donor(s) and 0 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-Ethyltoluene?
The CAS number of 3-Ethyltoluene is 620-14-4.
What is the molecular formula of 3-Ethyltoluene?
The molecular formula of 3-Ethyltoluene is C9H12.
What is the molecular weight of 3-Ethyltoluene?
The molecular weight of 3-Ethyltoluene is 120.09 g/mol.
Where can I buy 3-Ethyltoluene?
You can request a quote for 3-Ethyltoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyltoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyltoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.