4,6-Di-tert-butyl-3-methylphenol
TL;DR: 4,6-Di-tert-butyl-3-methylphenol (CAS 497-39-2) is a chemical compound with molecular formula C15H24O and molecular weight 220.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-ditert-butyl-5-methylphenol
Also Known As: 4,6-Di-tert-butyl-m-cresol, DBMC, 2,4-Di-tert-butyl-5-methylphenol, Di-tert-butyl-m-cresol, Ditertbutylmcresol
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H24O |
| Molecular Weight | 220.18271 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.18271 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| Melting Point | 62.1 °C |
| Boiling Point | 211 °C @ 100 MM HG |
| Density | 0.912 @ 80 °C/4 °C |
| Solubility | PRACTICALLY INSOL IN WATER, ETHYLENE GLYCOL; SOL IN ALC, BENZENE, CARBON TETRACHLORIDE, ETHER, ACETONE |
| SMILES | CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O |
| InChIKey | WYSSJDOPILWQDC-UHFFFAOYSA-N |
Product Description
Applications: 4,6-Di-tert-butyl-3-methylphenol is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer additives and plastics compounding. 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).
A organic building block supplied by CoreyChem, 4,6-Di-tert-butyl-3-methylphenol (CAS 497-39-2) has the molecular formula C15H24O and a molecular weight of 220.18 g/mol. Reported properties include a density of 0.912 @ 80 °C/4 °C g/cm³, a solubility: PRACTICALLY INSOL IN WATER, ETHYLENE GLYCOL; SOL IN ALC, BENZENE, CARBON TETRACHLORIDE, ETHER, ACETONE. Synonyms include 4,6-Di-tert-butyl-m-cresol and DBMC.
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 4,6-Di-tert-butyl-3-methylphenol
Property Insights of 4,6-Di-tert-butyl-3-methylphenol
The XLogP value of 5.3 indicates that 4,6-Di-tert-butyl-3-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, 4,6-Di-tert-butyl-3-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Di-tert-butyl-3-methylphenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4,6-Di-tert-butyl-3-methylphenol?
The CAS number of 4,6-Di-tert-butyl-3-methylphenol is 497-39-2.
What is the molecular formula of 4,6-Di-tert-butyl-3-methylphenol?
The molecular formula of 4,6-Di-tert-butyl-3-methylphenol is C15H24O.
What is the molecular weight of 4,6-Di-tert-butyl-3-methylphenol?
The molecular weight of 4,6-Di-tert-butyl-3-methylphenol is 220.18271 g/mol.
What are the applications of 4,6-Di-tert-butyl-3-methylphenol?
4,6-Di-tert-butyl-3-methylphenol is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4,6-Di-tert-butyl-3-methylphenol?
You can request a quote for 4,6-Di-tert-butyl-3-methylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,6-Di-tert-butyl-3-methylphenol?
Yes, CoreyChem provides custom synthesis services for 4,6-Di-tert-butyl-3-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.