Diallyl ether
TL;DR: Diallyl ether (CAS 557-40-4) is a chemical compound with molecular formula C6H10O and molecular weight 98.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-prop-2-enoxyprop-1-ene
Also Known As: ALLYL ETHER, Diallyl ether, Allylether, Ether, diallyl, Diallylether
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O |
| Molecular Weight | 98.073166 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 98.073166 Da |
| Heavy Atoms | 7 |
| Complexity | 49.0 |
| Melting Point | -6 °C |
| Boiling Point | 94 °C |
| Density | Relative density (water = 1): 0.8 |
| Flash Point | 20 °F (NFPA, 2010) |
| Vapor Pressure | Vapor pressure, kPa at 20 °C: 5.79 |
| Solubility | Solubility in water: none |
| SMILES | C=CCOCC=C |
| InChIKey | ATVJXMYDOSMEPO-UHFFFAOYSA-N |
Product Description
Applications: Diallyl ether is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diallyl ether (CAS 557-40-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, Diallyl ether (CAS 557-40-4) has the molecular formula C6H10O and a molecular weight of 98.07 g/mol. Reported properties include a density of Relative density (water = 1): 0.8 g/cm³, a solubility: Solubility in water: none. It is also known as ALLYL ETHER and Diallyl 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 Diallyl ether
Property Insights of Diallyl ether
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Diallyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl 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 Diallyl ether?
The CAS number of Diallyl ether is 557-40-4.
What is the molecular formula of Diallyl ether?
The molecular formula of Diallyl ether is C6H10O.
What is the molecular weight of Diallyl ether?
The molecular weight of Diallyl ether is 98.073166 g/mol.
What are the applications of Diallyl ether?
Diallyl ether is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diallyl ether (CAS 557-40-4) with custom synthesis available...
Where can I buy Diallyl ether?
You can request a quote for Diallyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diallyl ether?
Yes, CoreyChem provides custom synthesis services for Diallyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.