2,6-二叔丁基苯酚
TL;DR: 2,6-二叔丁基苯酚 (CAS 128-39-2) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二叔丁基苯酚
2,6-ditert-butylphenol
Also Known As: 2,6-DI-TERT-BUTYLPHENOL, 2,6-Di-t-butylphenol, 2,6-Bis(tert-butyl)phenol, Dibutylphenol, 2,6-ditert-butylphenol
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
| Melting Point | 36.1 °C |
| Boiling Point | 252.8 °C at 760 mmHg |
| Density | 0.914 at 20.0 °C - Less dense than water; will float |
| Solubility | 2.5 mg/l @ 25 °C |
| Flash Point | greater than 93.3 °C |
| Vapor Pressure | 0.0073 [mmHg] |
| Refractive Index | = 1.5001 @ 20 °C |
Chemical Identifiers
| CAS Number | 128-39-2 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O |
| InChIKey | DKCPKDPYUFEZCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二叔丁基苯酚 (CAS 128-39-2), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 2,6-ditert-butylphenol.
Chemical Property Profile of 2,6-二叔丁基苯酚
Property Insights of 2,6-二叔丁基苯酚
The XLogP value of 4.9 indicates that 2,6-二叔丁基苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6-二叔丁基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二叔丁基苯酚 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
Frequently Asked Questions
What is the CAS number of 2,6-二叔丁基苯酚?
The CAS number of 2,6-二叔丁基苯酚 is 128-39-2.
What is the molecular formula of 2,6-二叔丁基苯酚?
The molecular formula of 2,6-二叔丁基苯酚 is C14H22O.
What is the molecular weight of 2,6-二叔丁基苯酚?
The molecular weight of 2,6-二叔丁基苯酚 is 206.17 g/mol.
Where can I buy 2,6-二叔丁基苯酚?
You can request a quote for 2,6-二叔丁基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二叔丁基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二叔丁基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.