Dibenzyl ether
TL;DR: Dibenzyl ether (CAS 103-50-4) is a chemical compound with molecular formula C14H14O and molecular weight 198.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenylmethoxymethylbenzene
Also Known As: Benzyl ether, DIBENZYL ETHER, Benzyl oxide, Dibenzylether, Plastikator BA
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H14O |
| Molecular Weight | 198.10446 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.10446 Da |
| Heavy Atoms | 15 |
| Complexity | 137.0 |
| Melting Point | 38.3 °F (NTP, 1992) |
| Boiling Point | 568 °F at 760 mmHg (decomposes) (NTP, 1992) |
| Density | 1.0428 at 68 °F (USCG, 1999) - Denser than water; will sink |
| Flash Point | 275 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 77 °F ; 4 mmHg at 122 °F; 31 mmHg at 203 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.54057 AT 20 °C, 1.566 AT 20 °C/D; 1.5601 @ 25 °C/D; 1.5381 @ 25 °C/D |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1=CC=C(C=C1)COCC2=CC=CC=C2 |
| InChIKey | MHDVGSVTJDSBDK-UHFFFAOYSA-N |
Chemical Property Profile of Dibenzyl ether
Property Insights of Dibenzyl ether
The XLogP value of 3.3 indicates that Dibenzyl 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, Dibenzyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzyl 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 Dibenzyl ether?
The CAS number of Dibenzyl ether is 103-50-4.
What is the molecular formula of Dibenzyl ether?
The molecular formula of Dibenzyl ether is C14H14O.
What is the molecular weight of Dibenzyl ether?
The molecular weight of Dibenzyl ether is 198.10446 g/mol.
Where can I buy Dibenzyl ether?
You can request a quote for Dibenzyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibenzyl ether?
Yes, CoreyChem provides custom synthesis services for Dibenzyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.