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Substance Name: Benzyl phenyl ether
RN: 946-80-5
UNII: BUE863N0L8
InChIKey: BOTNYLSAWDQNEX-UHFFFAOYSA-N

Molecular Formula

  • C13-H12-O

Molecular Weight

  • 184.237
 
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Names and Synonyms

Name of Substance

  • Benzyl phenyl ether

Synonyms

  • alpha-Phenylanisole
  • Anisole, alpha-phenyl-
  • Benzyl phenyl ether
  • NSC 77971
  • Phenyl benzyl ether
  • UNII-BUE863N0L8

Systematic Names

  • Benzene, (phenoxymethyl)- (9CI)
  • Ether, benzyl phenyl (8CI)

Registry Numbers

CAS Registry Number

  • 946-80-5

FDA UNII

  • BUE863N0L8

System Generated Number

  • 0000946805

Structure Descriptors

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

c1ccccc1OCc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 40 deg C   EXP
Boiling Point 286.5 deg C   EXP
log P (octanol-water) 3.79 (none)   EXP
Water Solubility 30.4 mg/L 25 EST
Henry's Law Constant 2.57E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.20E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.