4-叔辛基苯酚
TL;DR: 4-叔辛基苯酚 (CAS 140-66-9) 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.
4-叔辛基苯酚
4-(2,4,4-trimethylpentan-2-yl)phenol
Also Known As: 4-tert-Octylphenol, 4-t-Octylphenol, p-tert-Octylphenol, p-Terc.oktylfenol, 4-(2,4,4-trimethylpentan-2-yl)phenol
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
| Melting Point | 85 °C |
| Boiling Point | 279 °C |
| Density | Density: 0.89 g/mL at 90 °C |
| Vapor Pressure | 0.03 [mmHg] |
Chemical Identifiers
| CAS Number | 140-66-9 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O |
| InChIKey | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-叔辛基苯酚 (CAS 140-66-9), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 4-(2,4,4-trimethylpentan-2-yl)phenol.
Chemical Property Profile of 4-叔辛基苯酚
Property Insights of 4-叔辛基苯酚
The XLogP value of 5.0 indicates that 4-叔辛基苯酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-叔辛基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-叔辛基苯酚 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 4-叔辛基苯酚?
The CAS number of 4-叔辛基苯酚 is 140-66-9.
What is the molecular formula of 4-叔辛基苯酚?
The molecular formula of 4-叔辛基苯酚 is C14H22O.
What is the molecular weight of 4-叔辛基苯酚?
The molecular weight of 4-叔辛基苯酚 is 206.17 g/mol.
Where can I buy 4-叔辛基苯酚?
You can request a quote for 4-叔辛基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-叔辛基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 4-叔辛基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.