Dibenzyl ether
TL;DR: Dibenzyl ether (CAS 103-50-4) is a chemical compound with molecular formula C14H14O and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylmethoxymethylbenzene
Also Known As: Benzyl ether, DIBENZYL ETHER, Benzyl oxide, Dibenzylether, Plastikator BA
| Molecular Formula | C14H14O |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.10446 |
| Heavy Atoms | 15 |
| Complexity | 137.0 |
| Melting Point | 3.5 °C |
| Boiling Point | 297.8 °C at 760 mmHg (decomposes) |
| Density | 1.0428 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 135.0 °C |
| Vapor Pressure | 1 mmHg at 25.0 °C ; 4 mmHg at 50.0 °C; 31 mmHg at 95.0 °C |
| Refractive Index | 1.54057 AT 20 °C, 1.566 AT 20 °C; 1.5601 @ 25 °C; 1.5381 @ 25 °C |
Chemical Identifiers
| CAS Number | 103-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COCC2=CC=CC=C2 |
| InChIKey | MHDVGSVTJDSBDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzyl ether (CAS 103-50-4), with molecular formula C14H14O and molecular weight 198.10 g/mol. IUPAC: phenylmethoxymethylbenzene.
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
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 198.10 g/mol.
Where can I buy Dibenzyl ether?
You can request a quote for Dibenzyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl ether?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.