404284

Benzyl phenyl ether

98%

• Linear Formula: C₆H₅CH₂OC₆H₅
• CAS Number: 946-80-5
• Molecular Weight: 184.23
• NACRES: NA.22
• PubChem Substance ID: 24865236
• UNSPSC Code: 12352100
• MDL number: MFCD00020660
• Assay: 98%

Properties

• assay: 98%
• bp: 286-287 °C (lit.)
• mp: 39-41 °C (lit.)
• functional group: phenoxy, phenyl
• SMILES string: C(Oc1ccccc1)c2ccccc2
• InChI: 1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
• InChI key: BOTNYLSAWDQNEX-UHFFFAOYSA-N

Description

General description

Benzyl phenyl ether is a reactive organic oxygenate, containing ether as functional group, present in subbituminous and bituminous coals. It reacts with aluminium bromide in chlorobenzene solution to afford a mixture of phenol, o-benzyl phenol and dichlorodiphenylmethane. It is a useful as model compound in catalytic chemistry to represent the a-O4 ether bond in lignin and coal. It contains a weak ether bond of 234kJ/mol and belongs to the most thermo-labile compounds in lignin and low rank coal. Influence of alkali carbonates, common additives in biomass conversion, on the reaction pathways of BPE in superheated water has been reported. Cesium-exchanged heteropolyacid catalyzed decomposition of benzyl phenyl ether to aromatics has been investigated. Photo-Claisen rearrangements of benzyl phenyl ether was investigated in cation-exchanged Y zeolites and polyethylenes of differing crystallinities.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves