Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-
TL;DR: Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- (CAS 70766-54-0) is a chemical compound with molecular formula C16H26O and molecular weight 234.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-2,3-dimethylphenol
Also Known As: 4,6-Di-tert-butyl-2,3-xylenol, 2,3-Dimethyl-4,6-di-tert-butylphenol, Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-, 4,6-DI-TERT-BUTYL-2,3-DIMETHYLPHENOL, 2,3-Xylenol, 4,6-di-tert-butyl-
| Molecular Formula | C16H26O |
|---|---|
| Molecular Weight | 234.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.19836 |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 70766-54-0 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)O)C |
| InChIKey | YYJBEOVFNCROQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- (CAS 70766-54-0), with molecular formula C16H26O and molecular weight 234.20 g/mol. IUPAC: 4,6-ditert-butyl-2,3-dimethylphenol.
Chemical Property Profile of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-
Property Insights of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-
The XLogP value of 5.6 indicates that Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-?
The CAS number of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- is 70766-54-0.
What is the molecular formula of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-?
The molecular formula of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- is C16H26O.
What is the molecular weight of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-?
The molecular weight of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- is 234.20 g/mol.
Where can I buy Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-?
You can request a quote for Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.