2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol
TL;DR: 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol (CAS 90-68-6) is a chemical compound with molecular formula C31H40O3 and molecular weight 460.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Also Known As: Antioxidant 80, NCIStruc1_001191, NCIStruc2_001350, Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-, KSC-261-77-2
| Molecular Formula | C31H40O3 |
|---|---|
| Molecular Weight | 460.30 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.29776 |
| Heavy Atoms | 34 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 90-68-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)C)C(C)(C)C)O)O)CC3=C(C(=CC(=C3)C)C(C)(C)C)O |
| InChIKey | LKALLEFLBKHPTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol (CAS 90-68-6), with molecular formula C31H40O3 and molecular weight 460.30 g/mol. IUPAC: 2,6-bis[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol.
Chemical Property Profile of 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol
Property Insights of 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol
The XLogP value of 9.1 indicates that 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol. Following Lipinski's Rule of Five, 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol?
The CAS number of 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol is 90-68-6.
What is the molecular formula of 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol?
The molecular formula of 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol is C31H40O3.
What is the molecular weight of 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol?
The molecular weight of 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol is 460.30 g/mol.
Where can I buy 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol?
You can request a quote for 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(4-methyl-6-tert-butyl-salicyl)-4-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.