1-Ethyl-2-Methylbenzene
TL;DR: 1-Ethyl-2-Methylbenzene (CAS 611-14-3) 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-2-methylbenzene
Also Known As: 2-Ethyltoluene, 1-Ethyl-2-methylbenzene, O-ETHYLTOLUENE, o-Methylethylbenzene, Toluene, o-ethyl-
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 3.5 |
| 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 |
| Melting Point | -80.8 °C |
| Boiling Point | 165.2 °C at 760 mmHg |
| Density | 0.8807 at 20.0 °C - Less dense than water; will float |
| Flash Point | 39.4 °C |
| Vapor Pressure | 10.34 mmHg |
Chemical Identifiers
| CAS Number | 611-14-3 |
|---|---|
| SMILES | CCC1=CC=CC=C1C |
| InChIKey | HYFLWBNQFMXCPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-2-Methylbenzene (CAS 611-14-3), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 1-ethyl-2-methylbenzene.
Chemical Property Profile of 1-Ethyl-2-Methylbenzene
Property Insights of 1-Ethyl-2-Methylbenzene
The XLogP value of 3.5 indicates that 1-Ethyl-2-Methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethyl-2-Methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-2-Methylbenzene 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 1-Ethyl-2-Methylbenzene?
The CAS number of 1-Ethyl-2-Methylbenzene is 611-14-3.
What is the molecular formula of 1-Ethyl-2-Methylbenzene?
The molecular formula of 1-Ethyl-2-Methylbenzene is C9H12.
What is the molecular weight of 1-Ethyl-2-Methylbenzene?
The molecular weight of 1-Ethyl-2-Methylbenzene is 120.09 g/mol.
Where can I buy 1-Ethyl-2-Methylbenzene?
You can request a quote for 1-Ethyl-2-Methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-2-Methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-2-Methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.