6-tert-Butyl-m-cresol
TL;DR: 6-tert-Butyl-m-cresol (CAS 88-60-8) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-methylphenol
Also Known As: 6-tert-Butyl-m-cresol, 2-tert-Butyl-5-methylphenol, 2-(tert-butyl)-5-methylphenol, 6-tert-Butyl-3-methylphenol, 5-Methyl-2-tert-butylphenol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
| Melting Point | 46 °C |
| Boiling Point | 224 °C AT 760 MM HG |
| Density | 0.922 AT 80 °C |
| Solubility | INSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE, ORGANIC SOLVENTS |
| Flash Point | 114 °C |
| Vapor Pressure | 0.02 [mmHg] |
| Refractive Index | 1.5250 AT 20 °C; SADTLER REFERENCE NUMBER: 257 (IR, PRISM), 89 (IR, GRATING), 103 (UV), 525 (NMR) |
Chemical Identifiers
| CAS Number | 88-60-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)(C)C)O |
| InChIKey | XOUQAVYLRNOXDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-tert-Butyl-m-cresol (CAS 88-60-8), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2-tert-butyl-5-methylphenol.
Chemical Property Profile of 6-tert-Butyl-m-cresol
Property Insights of 6-tert-Butyl-m-cresol
The XLogP value of 3.6 indicates that 6-tert-Butyl-m-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 6-tert-Butyl-m-cresol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-m-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 6-tert-Butyl-m-cresol?
The CAS number of 6-tert-Butyl-m-cresol is 88-60-8.
What is the molecular formula of 6-tert-Butyl-m-cresol?
The molecular formula of 6-tert-Butyl-m-cresol is C11H16O.
What is the molecular weight of 6-tert-Butyl-m-cresol?
The molecular weight of 6-tert-Butyl-m-cresol is 164.12 g/mol.
Where can I buy 6-tert-Butyl-m-cresol?
You can request a quote for 6-tert-Butyl-m-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-m-cresol?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-m-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.