3-Ethyl-p-cresol
TL;DR: 3-Ethyl-p-cresol (CAS 6161-67-7) 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.
3-ethyl-4-methylphenol
Also Known As: 3-ethyl-4-methylphenol, 3-Ethyl-p-cresol, 3-ethyl-4-methyl-phenol, 3-Ethyl-p-cresol, 8CI, Phenol, 3-ethyl-4-methyl-
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Melting Point | 35 - 36 °C |
Chemical Identifiers
| CAS Number | 6161-67-7 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)O)C |
| InChIKey | BTRPJOHXPQOVLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-p-cresol (CAS 6161-67-7), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 3-ethyl-4-methylphenol.
Chemical Property Profile of 3-Ethyl-p-cresol
Property Insights of 3-Ethyl-p-cresol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-p-cresol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Ethyl-p-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-p-cresol has 1 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-Ethyl-p-cresol?
The CAS number of 3-Ethyl-p-cresol is 6161-67-7.
What is the molecular formula of 3-Ethyl-p-cresol?
The molecular formula of 3-Ethyl-p-cresol is C9H12O.
What is the molecular weight of 3-Ethyl-p-cresol?
The molecular weight of 3-Ethyl-p-cresol is 136.09 g/mol.
Where can I buy 3-Ethyl-p-cresol?
You can request a quote for 3-Ethyl-p-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-p-cresol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-p-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.