ChemicalBook--->CAS DataBase List--->946-80-5

946-80-5

946-80-5 Structure

946-80-5 Structure
IdentificationMore
[Name]

BENZYL PHENYL ETHER
[CAS]

946-80-5
[Synonyms]

BENZYLOXY-BENZENE
BENZYL PHENYL ETHER
PHENYL BENZYL ETHER
TIMTEC-BB SBB008247
(Phenoxymethyl)-benzene
alpha-Phenylanisole
Anisole, alpha-phenyl-
Ether, benzyl phenyl
Benzylphenylether,97%
Benzene, (phenoxymethyl)-
à-phenoxytoluene
Benzyl phenyl ether, Pract.
[Molecular Formula]

C13H12O
[MDL Number]

MFCD00020660
[Molecular Weight]

184.23
[MOL File]

946-80-5.mol
Chemical PropertiesBack Directory
[Appearance]

Light brown-orange chunks
[Melting point ]

39-41 °C (lit.)
[Boiling point ]

286-287 °C (lit.)
[density ]

1.0120 (rough estimate)
[refractive index ]

1.5641 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

Chunks
[color ]

Light brown-orange
[Water Solubility ]

Insoluble in water.
[BRN ]

2045713
[InChI]

InChI=1S/C13H12O/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10H,11H2
[InChIKey]

BOTNYLSAWDQNEX-UHFFFAOYSA-N
[SMILES]

C1(COC2=CC=CC=C2)=CC=CC=C1
[CAS DataBase Reference]

946-80-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29093090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Light brown-orange chunks
[Uses]

Benzyl phenyl ether reacts with aluminum 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.
[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.
Questions And AnswerBack Directory
[Uses in Perfume]

Faint, sweet and remotely floral odor. However, most commercial products seem to have a pronounced "Bitter Almond" note, probably deriving from impurities in this chemical. Besides, benzyl phenyl ether does not seem to offer any unusual or specifically desirable notes which are not obtainable by means of other and equally inexpensive perfume chemicals.
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYL PHENYL ETHER(946-80-5)MS
BENZYL PHENYL ETHER(946-80-5)1HNMR
BENZYL PHENYL ETHER(946-80-5)13CNMR
BENZYL PHENYL ETHER(946-80-5)IR1
BENZYL PHENYL ETHER(946-80-5)IR2
BENZYL PHENYL ETHER(946-80-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzyl phenyl ether, 98%(946-80-5)
[Alfa Aesar]

Benzyl phenyl ether, 97%(946-80-5)
[Sigma Aldrich]

946-80-5(sigmaaldrich)
[TCI AMERICA]

Benzyl Phenyl Ether,>98.0%(GC)(946-80-5)
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