4-n-Octylphenol
TL;DR: 4-n-Octylphenol (CAS 1806-26-4) 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-octylphenol
Also Known As: 4-OCTYLPHENOL, 4-n-Octylphenol, p-Octylphenol, Phenol, 4-octyl-, Phenol, p-octyl-
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 136.0 |
| Melting Point | 44-45 °C |
| Boiling Point | 280 °C |
| Density | 0.96 g/cm³ |
| Solubility | Solubility in water: none |
| Flash Point | 113 °C |
| Vapor Pressure | 0.000098 [mmHg] |
Chemical Identifiers
| CAS Number | 1806-26-4 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)O |
| InChIKey | NTDQQZYCCIDJRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-n-Octylphenol (CAS 1806-26-4), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 4-octylphenol.
Chemical Property Profile of 4-n-Octylphenol
Property Insights of 4-n-Octylphenol
The XLogP value of 5.3 indicates that 4-n-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-n-Octylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-n-Octylphenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-n-Octylphenol?
The CAS number of 4-n-Octylphenol is 1806-26-4.
What is the molecular formula of 4-n-Octylphenol?
The molecular formula of 4-n-Octylphenol is C14H22O.
What is the molecular weight of 4-n-Octylphenol?
The molecular weight of 4-n-Octylphenol is 206.17 g/mol.
Where can I buy 4-n-Octylphenol?
You can request a quote for 4-n-Octylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-n-Octylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-n-Octylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.