4-tert-Butylphenol
TL;DR: 4-tert-Butylphenol (CAS 98-54-4) 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.
4-tert-butylphenol
Also Known As: 4-tert-Butylphenol, p-tert-Butylphenol, Butylphen, 4-(tert-Butyl)phenol, 4-t-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 | 115.0 |
| Melting Point | 214 °F (NTP, 1992) |
| Boiling Point | 463.1 °F at 760 mmHg (NTP, 1992) |
| Density | 0.908 at 176 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 235 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 158 °F (NTP, 1992) |
| Refractive Index | Refractive Index: 1.4787 at 114 °C |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | CC(C)(C)C1=CC=C(C=C1)O |
| InChIKey | QHPQWRBYOIRBIT-UHFFFAOYSA-N |
Product Description
Applications: 4-tert-Butylphenol is used in polymer chemistry and functional materials synthesis, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-tert-Butylphenol (CAS 98-54-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-tert-Butylphenol is a polymer intermediate identified by CAS number 98-54-4 and the molecular formula C10H14O and a molecular weight of 150.1 g/mol. Physically, the compound has a density of 0.908 at 176 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: Insoluble (NTP, 1992). It is also known as 4-tert-Butylphenol and p-tert-Butylphenol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 150.10446 g/mol.
What are the applications of 4-tert-Butylphenol?
4-tert-Butylphenol is used in polymer chemistry and functional materials synthesis, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-tert-Butylphenol (CAS 98-54-4) with custom synthesis...
Where can I buy 4-tert-Butylphenol?
You can request a quote for 4-tert-Butylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butylphenol?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.