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4698-96-8

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Basic Information
CAS No.: 4698-96-8
Name: 2-((1,1’-biphenyl-4-yloxy)methyl)-oxiran
Article Data: 16
Molecular Structure:
Molecular Structure of 4698-96-8 (2-((1,1’-biphenyl-4-yloxy)methyl)-oxiran)
Formula: C15H14 O2
Molecular Weight: 226.275
Synonyms: Oxirane,[([1,1'-biphenyl]-4-yloxy)methyl]- (9CI); Propane,1-(4-biphenylyloxy)-2,3-epoxy- (7CI,8CI); Propane, 3-[4-biphenylyloxy]-1,2-epoxy-(4CI); 1-(4-Biphenyloxy)-2,3-epoxypropane;1-(4-Biphenylyloxy)-2,3-epoxypropane; 4-Biphenylyl glycidyl ether;[(4-Phenylphenoxy)methyl]oxirane; p-Phenylphenyl glycidyl ether
Density: 1.136g/cm3
Boiling Point: 374.2°Cat760mmHg
Flash Point: 157.6°C
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 21.76000
LogP: 3.13120
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Chemistry

IUPAC Name: (2R)-2-[(4-phenylphenoxy)methyl]oxirane 
Molecular Formula: C15H14O2
Molecular Weight: 226.27046g/mol
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 226.09938
MonoIsotopic Mass: 226.09938
Topological Polar Surface Area: 21.8
Heavy Atom Count: 17
Formal Charge: 0
Complexity: 227 
Index of Refraction: 1.581
Molar Refractivity: 66.36 cm3
Molar Volume: 199 cm3
Polarizability: 26.3×10-24cm3
Surface Tension: 44.6 dyne/cm
Density: 1.136 g/cm3
Flash Point: 157.6 °C
Enthalpy of Vaporization: 59.72 kJ/mol
Boiling Point: 374.2 °C at 760 mmHg
Vapour Pressure: 1.83E-05 mmHg at 25°C
Canonical SMILES: C1C(O1)COC2=CC=C(C=C2)C3=CC=CC=C3
Isomeric SMILES: C1[C@@H](O1)COC2=CC=C(C=C2)C3=CC=CC=C3
InChI: InChI=1S/C15H14O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h1-9,15H,10-11H2/t15-/m0/s1
InChIKey: GXANCFOKAWEPIS-HNNXBMFYSA-N
Structure of p-Phenylphenyl glycidyl ether (CAS NO.4698-96-8):

Toxicity Data With Reference

1.    

mic-sat 10 nmol/plate

     MUREAV    Mutation Research. 206 (1988),115.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

  p-Phenylphenyl glycidyl ether , its cas register number is 4698-96-8. It also can be called 4-Biphenylyl glycidyl ether ; CCRIS 2066 ; EINECS 225-174-7 ; Ether, 4-biphenylyl 2,3-epoxypropyl ; 1-(Biphenyl-4-yloxy)-2,3-epoxypropane ; 4-Biphenylyl glycidyl ether ; Oxirane, 2-((1,1'-biphenyl-4-yloxy)methyl)- ; Propane, 1-(4-biphenyloxy)-2,3-epoxy- (7CI,8CI) . When  p-Phenylphenyl glycidyl ether (CAS NO.4698-96-8) is heated to decomposition, it emits acrid smoke and irritating vapors.