4-tert-Pentylphenol
TL;DR: 4-tert-Pentylphenol (CAS 80-46-6) is a chemical compound with molecular formula C11H16O and molecular weight 164.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methylbutan-2-yl)phenol
Also Known As: 4-tert-Amylphenol, p-tert-Amylphenol, p-tert-Pentylphenol, 4-tert-Pentylphenol, 4-t-Amylphenol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O |
| Molecular Weight | 164.12012 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.12012 Da |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
| Melting Point | 190 to 205 °F (NTP, 1992) |
| Boiling Point | 504.5 °F at 760 mmHg ; 280 °F at 15 mmHg; 491-513 °F (NTP, 1992) |
| Density | 0.9624 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 232 °F (NTP, 1992) |
| Vapor Pressure | 2.00X10-3 mm Hg at 25 °C (ext) |
| Solubility | less than 1 mg/mL at 79 °F (NTP, 1992) |
| SMILES | CCC(C)(C)C1=CC=C(C=C1)O |
| InChIKey | NRZWYNLTFLDQQX-UHFFFAOYSA-N |
Product Description
Applications: 4-tert-Pentylphenol is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-tert-Pentylphenol (CAS 80-46-6) is a polymer intermediate with the molecular formula C11H16O and a molecular weight of 164.12 g/mol. Key physical properties include a density of 0.9624 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 79 °F (NTP, 1992). Synonyms include 4-tert-Amylphenol and p-tert-Amylphenol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 164.12012 g/mol.
What are the applications of 4-tert-Pentylphenol?
4-tert-Pentylphenol is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project...
Where can I buy 4-tert-Pentylphenol?
You can request a quote for 4-tert-Pentylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Pentylphenol?
Yes, CoreyChem provides custom synthesis services for 4-tert-Pentylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.