4-tert-Butylcatechol
TL;DR: 4-tert-Butylcatechol (CAS 98-29-3) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butylbenzene-1,2-diol
Also Known As: 4-tert-Butylcatechol, p-tert-Butylcatechol, 4-(tert-butyl)benzene-1,2-diol, 4-tert-Butylpyrocatechol, p-tert-Butyl catechol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.09938 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.09938 Da |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Melting Point | 52 °C |
| Boiling Point | 285 °C @760 [mm Hg] |
| Density | 1.0496 @25 °C |
| Flash Point | 130 °C |
| Vapor Pressure | 0.0028 [mmHg] |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)O |
| InChIKey | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
Product Description
Applications: 4-tert-Butylcatechol is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-tert-Butylcatechol (CAS 98-29-3) is a polymer intermediate with the molecular formula C10H14O2 and a molecular weight of 166.1 g/mol. Key physical properties include a density of 1.0496 @25 °C g/cm³. Synonyms include 4-tert-Butylcatechol and p-tert-Butylcatechol.
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-Butylcatechol
Property Insights of 4-tert-Butylcatechol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butylcatechol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-tert-Butylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylcatechol has 2 hydrogen bond donor(s) and 2 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-Butylcatechol?
The CAS number of 4-tert-Butylcatechol is 98-29-3.
What is the molecular formula of 4-tert-Butylcatechol?
The molecular formula of 4-tert-Butylcatechol is C10H14O2.
What is the molecular weight of 4-tert-Butylcatechol?
The molecular weight of 4-tert-Butylcatechol is 166.09938 g/mol.
What are the applications of 4-tert-Butylcatechol?
4-tert-Butylcatechol is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4-tert-Butylcatechol?
You can request a quote for 4-tert-Butylcatechol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butylcatechol?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.