Benzyl butyl ether
TL;DR: Benzyl butyl ether (CAS 588-67-0) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butoxymethylbenzene
Also Known As: Benzyl butyl ether, (Butoxymethyl)benzene, butoxymethylbenzene, Benzyl n-butyl ether, Butyl benzyl ether
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 95.0 |
| Boiling Point | 220.00 to 224.00 °C. @ 744.00 mm Hg |
| Density | 0.928-0.933 (10°) |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.480-1.485 |
Chemical Identifiers
| CAS Number | 588-67-0 |
|---|---|
| SMILES | CCCCOCC1=CC=CC=C1 |
| InChIKey | MAYUYFCAPVDYBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl butyl ether (CAS 588-67-0), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: butoxymethylbenzene.
Chemical Property Profile of Benzyl butyl ether
Property Insights of Benzyl butyl ether
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl butyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Benzyl butyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl butyl 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
Frequently Asked Questions
What is the CAS number of Benzyl butyl ether?
The CAS number of Benzyl butyl ether is 588-67-0.
What is the molecular formula of Benzyl butyl ether?
The molecular formula of Benzyl butyl ether is C11H16O.
What is the molecular weight of Benzyl butyl ether?
The molecular weight of Benzyl butyl ether is 164.12 g/mol.
Where can I buy Benzyl butyl ether?
You can request a quote for Benzyl butyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl butyl ether?
Yes, KEHONG BIO provides custom synthesis services for Benzyl butyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.