4-乙基甲苯
TL;DR: 4-乙基甲苯 (CAS 622-96-8) 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.
4-乙基甲苯
1-ethyl-4-methylbenzene
Also Known As: 4-Ethyltoluene, 1-Ethyl-4-methylbenzene, P-ETHYLTOLUENE, p-Methylethylbenzene, Toluene, p-ethyl-
| 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 | 68.0 |
| Melting Point | -62.4 °C |
| Boiling Point | 162.2 °C @760 [mm Hg] |
| Density | .86 @ 20°C |
| Vapor Pressure | 3.0 [mmHg] |
Chemical Identifiers
| CAS Number | 622-96-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C |
| InChIKey | JRLPEMVDPFPYPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙基甲苯 (CAS 622-96-8), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 1-ethyl-4-methylbenzene.
Chemical Property Profile of 4-乙基甲苯
Property Insights of 4-乙基甲苯
The XLogP value of 3.6 indicates that 4-乙基甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-乙基甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙基甲苯 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 4-乙基甲苯?
The CAS number of 4-乙基甲苯 is 622-96-8.
What is the molecular formula of 4-乙基甲苯?
The molecular formula of 4-乙基甲苯 is C9H12.
What is the molecular weight of 4-乙基甲苯?
The molecular weight of 4-乙基甲苯 is 120.09 g/mol.
Where can I buy 4-乙基甲苯?
You can request a quote for 4-乙基甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙基甲苯?
Yes, KEHONG BIO provides custom synthesis services for 4-乙基甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.