4-Tert-octylphenol
TL;DR: 4-Tert-octylphenol (CAS 140-66-9) is a chemical compound with molecular formula C14H22O and molecular weight 206.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22O |
| Molecular Weight | 206.16707 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 Da |
| 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] |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O |
| InChIKey | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
Product Description
Applications: 4-Tert-octylphenol is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. 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-octylphenol (CAS 140-66-9) is a polymer intermediate with the molecular formula C14H22O and a molecular weight of 206.17 g/mol. Key physical properties include a density of Density: 0.89 g/mL at 90 °C g/cm³. Synonyms include 4-tert-Octylphenol and 4-t-Octylphenol.
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-octylphenol
Property Insights of 4-Tert-octylphenol
The XLogP value of 5.0 indicates that 4-Tert-octylphenol 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-octylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-octylphenol 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-octylphenol?
The CAS number of 4-Tert-octylphenol is 140-66-9.
What is the molecular formula of 4-Tert-octylphenol?
The molecular formula of 4-Tert-octylphenol is C14H22O.
What is the molecular weight of 4-Tert-octylphenol?
The molecular weight of 4-Tert-octylphenol is 206.16707 g/mol.
What are the applications of 4-Tert-octylphenol?
4-Tert-octylphenol is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. 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...
Where can I buy 4-Tert-octylphenol?
You can request a quote for 4-Tert-octylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Tert-octylphenol?
Yes, CoreyChem provides custom synthesis services for 4-Tert-octylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.