4-tert-Pentylphenol
TL;DR: 4-tert-Pentylphenol (CAS 80-46-6) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylbutan-2-yl)phenol
Also Known As: 4-tert-Amylphenol, p-tert-Amylphenol, p-tert-Pentylphenol, 4-tert-Pentylphenol, 4-t-Amylphenol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
| Melting Point | 190 to 96.1 °C |
| Boiling Point | 262.5 °C at 760 mmHg ; 137.8 °C at 15 mmHg; 491-302.8 °C |
| Density | 0.9624 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 79 °F (NTP, 1992) |
| Flash Point | 111.1 °C |
| Vapor Pressure | 2.00X10-3 mm Hg at 25 °C (ext) |
Chemical Identifiers
| CAS Number | 80-46-6 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)O |
| InChIKey | NRZWYNLTFLDQQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Pentylphenol (CAS 80-46-6), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 4-(2-methylbutan-2-yl)phenol.
Chemical Property Profile of 4-tert-Pentylphenol
Property Insights of 4-tert-Pentylphenol
The XLogP value of 3.9 indicates that 4-tert-Pentylphenol 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-tert-Pentylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Pentylphenol 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-tert-Pentylphenol?
The CAS number of 4-tert-Pentylphenol is 80-46-6.
What is the molecular formula of 4-tert-Pentylphenol?
The molecular formula of 4-tert-Pentylphenol is C11H16O.
What is the molecular weight of 4-tert-Pentylphenol?
The molecular weight of 4-tert-Pentylphenol is 164.12 g/mol.
Where can I buy 4-tert-Pentylphenol?
You can request a quote for 4-tert-Pentylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Pentylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Pentylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.