Isoamyl phenethyl ether
TL;DR: Isoamyl phenethyl ether (CAS 56011-02-0) is a chemical compound with molecular formula C13H20O and molecular weight 192.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylbutoxy)ethylbenzene
Also Known As: Anther, Isopentyl phenethyl ether, green ether, Isoamyl phenethyl ether, Isoamyl phenylethyl ether
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H20O |
| Molecular Weight | 192.15141 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.15141 Da |
| Heavy Atoms | 14 |
| Complexity | 125.0 |
| Boiling Point | 109.00 to 110.00 °C. @ 8.00 mm Hg |
| Density | 0.897-0.913 (20°) |
| Refractive Index | 1.477-1.485 |
| Solubility | Soluble in water |
| SMILES | CC(C)CCOCCC1=CC=CC=C1 |
| InChIKey | BHQBQWOZHYUVTL-UHFFFAOYSA-N |
Chemical Property Profile of Isoamyl phenethyl ether
Property Insights of Isoamyl phenethyl ether
The XLogP value of 3.7 indicates that Isoamyl phenethyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Isoamyl phenethyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl phenethyl ether has 0 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 Isoamyl phenethyl ether?
The CAS number of Isoamyl phenethyl ether is 56011-02-0.
What is the molecular formula of Isoamyl phenethyl ether?
The molecular formula of Isoamyl phenethyl ether is C13H20O.
What is the molecular weight of Isoamyl phenethyl ether?
The molecular weight of Isoamyl phenethyl ether is 192.15141 g/mol.
Where can I buy Isoamyl phenethyl ether?
You can request a quote for Isoamyl phenethyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl phenethyl ether?
Yes, CoreyChem provides custom synthesis services for Isoamyl phenethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.