4-tert-Butylphenol
TL;DR: 4-tert-Butylphenol (CAS 98-54-4) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylphenol
Also Known As: 4-tert-Butylphenol, p-tert-Butylphenol, Butylphen, 4-(tert-Butyl)phenol, 4-t-Butylphenol
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
| Melting Point | 101.1 °C |
| Boiling Point | 239.5 °C at 760 mmHg |
| Density | 0.908 at 80.0 °C - Less dense than water; will float |
| Solubility | Insoluble (NTP, 1992) |
| Flash Point | 112.8 °C |
| Vapor Pressure | 1 mmHg at 70.0 °C |
| Refractive Index | Refractive Index: 1.4787 at 114 °C |
Chemical Identifiers
| CAS Number | 98-54-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)O |
| InChIKey | QHPQWRBYOIRBIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butylphenol (CAS 98-54-4), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 4-tert-butylphenol.
Chemical Property Profile of 4-tert-Butylphenol
Property Insights of 4-tert-Butylphenol
The XLogP value of 3.3 indicates that 4-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, 4-tert-Butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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
Frequently Asked Questions
What is the CAS number of 4-tert-Butylphenol?
The CAS number of 4-tert-Butylphenol is 98-54-4.
What is the molecular formula of 4-tert-Butylphenol?
The molecular formula of 4-tert-Butylphenol is C10H14O.
What is the molecular weight of 4-tert-Butylphenol?
The molecular weight of 4-tert-Butylphenol is 150.10 g/mol.
Where can I buy 4-tert-Butylphenol?
You can request a quote for 4-tert-Butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.