2-Tert-Butylphenol
TL;DR: 2-Tert-Butylphenol (CAS 88-18-6) is a chemical compound with molecular formula C10H14O and molecular weight 150.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butylphenol
Also Known As: 2-TERT-BUTYLPHENOL, 2-(tert-butyl)phenol, 2-t-Butylphenol, o-t-Butylphenol, o-tert-Butylphenol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14O |
| Molecular Weight | 150.10446 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 Da |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
| Melting Point | -6.8 °C |
| Boiling Point | 223 °C @ 760 mm Hg |
| Density | 0.9783 @ 20 °C/4 °C |
| Flash Point | 110 °C |
| Vapor Pressure | 0.00015 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.5160 @ 20 °C/D |
| Solubility | SOL IN ALCOHOL; VERY SOL IN ETHER; SOL IN ALKALI, CARBON TETRACHLORIDE |
| SMILES | CC(C)(C)C1=CC=CC=C1O |
| InChIKey | WJQOZHYUIDYNHM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-Butylphenol
Property Insights of 2-Tert-Butylphenol
The XLogP value of 3.3 indicates that 2-Tert-Butylphenol 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-Butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-Butylphenol 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
What is the CAS number of 2-Tert-Butylphenol?
The CAS number of 2-Tert-Butylphenol is 88-18-6.
What is the molecular formula of 2-Tert-Butylphenol?
The molecular formula of 2-Tert-Butylphenol is C10H14O.
What is the molecular weight of 2-Tert-Butylphenol?
The molecular weight of 2-Tert-Butylphenol is 150.10446 g/mol.
Where can I buy 2-Tert-Butylphenol?
You can request a quote for 2-Tert-Butylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-Butylphenol?
Yes, CoreyChem provides custom synthesis services for 2-Tert-Butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.