4-Isooctylphenol
TL;DR: 4-Isooctylphenol (CAS 32596-83-1) 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-(6-methylheptyl)phenol
Also Known As: p-Isooctylphenol, 4-Isooctylphenol, Phenol, p-isooctyl-, Phenol, 4-isooctyl-, 4-(6-methylheptyl)phenol
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 32596-83-1 |
|---|---|
| SMILES | CC(C)CCCCCC1=CC=C(C=C1)O |
| InChIKey | HVXRCAWUNAOCTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isooctylphenol (CAS 32596-83-1), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 4-(6-methylheptyl)phenol.
Chemical Property Profile of 4-Isooctylphenol
Property Insights of 4-Isooctylphenol
The XLogP value of 5.1 indicates that 4-Isooctylphenol 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-Isooctylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isooctylphenol 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-Isooctylphenol?
The CAS number of 4-Isooctylphenol is 32596-83-1.
What is the molecular formula of 4-Isooctylphenol?
The molecular formula of 4-Isooctylphenol is C14H22O.
What is the molecular weight of 4-Isooctylphenol?
The molecular weight of 4-Isooctylphenol is 206.17 g/mol.
Where can I buy 4-Isooctylphenol?
You can request a quote for 4-Isooctylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isooctylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Isooctylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.