2-tert-Butyl-4-ethylphenol
TL;DR: 2-tert-Butyl-4-ethylphenol (CAS 96-70-8) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-ethylphenol
Also Known As: 2-tert-Butyl-4-ethylphenol, 2-(tert-Butyl)-4-ethylphenol, 4-Ethyl-2-tert-butylphenol, 2-T-BUTYL-4-ETHYLPHENOL, 2-tert-butyl-4-ethyl-phenol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
| Melting Point | 23 °C |
| Boiling Point | 250 °C @ 760 MM HG |
| Solubility | SOL IN ALC; INSOL IN ALKALI |
Chemical Identifiers
| CAS Number | 96-70-8 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)O)C(C)(C)C |
| InChIKey | LZHCVNIARUXHAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butyl-4-ethylphenol (CAS 96-70-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-tert-butyl-4-ethylphenol.
Chemical Property Profile of 2-tert-Butyl-4-ethylphenol
Property Insights of 2-tert-Butyl-4-ethylphenol
The XLogP value of 4.0 indicates that 2-tert-Butyl-4-ethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-tert-Butyl-4-ethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-4-ethylphenol 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 2-tert-Butyl-4-ethylphenol?
The CAS number of 2-tert-Butyl-4-ethylphenol is 96-70-8.
What is the molecular formula of 2-tert-Butyl-4-ethylphenol?
The molecular formula of 2-tert-Butyl-4-ethylphenol is C12H18O.
What is the molecular weight of 2-tert-Butyl-4-ethylphenol?
The molecular weight of 2-tert-Butyl-4-ethylphenol is 178.14 g/mol.
Where can I buy 2-tert-Butyl-4-ethylphenol?
You can request a quote for 2-tert-Butyl-4-ethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-4-ethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-4-ethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.