Benzyl ethyl ether
TL;DR: Benzyl ethyl ether (CAS 539-30-0) is a chemical compound with molecular formula C9H12O and molecular weight 136.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethoxymethylbenzene
Also Known As: (Ethoxymethyl)benzene, Benzyl ethyl ether, Ethyl benzyl ether, Ethoxymethylbenzene, Benzyl ethyl oxide
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O |
| Molecular Weight | 136.08882 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.08882 Da |
| Heavy Atoms | 10 |
| Complexity | 74.0 |
| Boiling Point | 87.00 to 88.00 °C. @ 30.00 mm Hg |
| Density | 0.947-0.951 (20°) |
| Refractive Index | 1.493-1.498 |
| Solubility | Insoluble in water; soluble in oils |
| SMILES | CCOCC1=CC=CC=C1 |
| InChIKey | AXPZDYVDTMMLNB-UHFFFAOYSA-N |
Product Description
Applications: Benzyl ethyl ether is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzyl ethyl ether (CAS 539-30-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzyl ethyl ether is a pharmaceutical intermediate identified by CAS number 539-30-0 and the molecular formula C9H12O and a molecular weight of 136.09 g/mol. Physically, the compound has a density of 0.947-0.951 (20°) g/cm³, a solubility: Insoluble in water; soluble in oils. It is also known as (Ethoxymethyl)benzene and Benzyl ethyl ether.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzyl ethyl ether
Property Insights of Benzyl ethyl ether
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl ethyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Benzyl ethyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl ethyl 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 Benzyl ethyl ether?
The CAS number of Benzyl ethyl ether is 539-30-0.
What is the molecular formula of Benzyl ethyl ether?
The molecular formula of Benzyl ethyl ether is C9H12O.
What is the molecular weight of Benzyl ethyl ether?
The molecular weight of Benzyl ethyl ether is 136.08882 g/mol.
What are the applications of Benzyl ethyl ether?
Benzyl ethyl ether is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzyl ethyl ether (CAS 539-30-0) with custom synthesis available from...
Where can I buy Benzyl ethyl ether?
You can request a quote for Benzyl ethyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl ethyl ether?
Yes, CoreyChem provides custom synthesis services for Benzyl ethyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.