2-tert-Butyl-4-methylphenol
TL;DR: 2-tert-Butyl-4-methylphenol (CAS 2409-55-4) 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-4-methylphenol
Also Known As: 2-tert-Butyl-4-methylphenol, 2-tert-Butyl-p-cresol, 2-(tert-butyl)-4-methylphenol, o-tert-Butyl-p-cresol, 4-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 | 55 °C |
| Boiling Point | 237 °C |
| Density | 0.9247 g/cc @ 75 °C |
| Solubility | Insoluble in water, soluble in oxygenated solvents. |
| Flash Point | 105 °C |
| Vapor Pressure | 0.02 [mmHg] |
| Refractive Index | = 1.4969 at 75 °C |
Chemical Identifiers
| CAS Number | 2409-55-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(C)(C)C |
| InChIKey | IKEHOXWJQXIQAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butyl-4-methylphenol (CAS 2409-55-4), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2-tert-butyl-4-methylphenol.
Chemical Property Profile of 2-tert-Butyl-4-methylphenol
Property Insights of 2-tert-Butyl-4-methylphenol
The XLogP value of 3.6 indicates that 2-tert-Butyl-4-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-tert-Butyl-4-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-4-methylphenol 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 2-tert-Butyl-4-methylphenol?
The CAS number of 2-tert-Butyl-4-methylphenol is 2409-55-4.
What is the molecular formula of 2-tert-Butyl-4-methylphenol?
The molecular formula of 2-tert-Butyl-4-methylphenol is C11H16O.
What is the molecular weight of 2-tert-Butyl-4-methylphenol?
The molecular weight of 2-tert-Butyl-4-methylphenol is 164.12 g/mol.
Where can I buy 2-tert-Butyl-4-methylphenol?
You can request a quote for 2-tert-Butyl-4-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-4-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-4-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.