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Substance Name: o-Benzylphenol
RN: 28994-41-4
UNII: SF555BL24O
InChIKey: CDMGNVWZXRKJNS-UHFFFAOYSA-N

Note

  • Metabolite of diphenylmethane.

Molecular Formula

  • C13-H12-O

Molecular Weight

  • 184.237
 
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Names and Synonyms

Name of Substance

  • 2-Benzylphenol
  • o-Benzylphenol

Synonyms

  • AI3-07547
  • EINECS 249-361-8
  • UNII-SF555BL24O

Systematic Names

  • 2-Benzylphenol
  • Phenol, 2-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 28994-41-4

FDA UNII

  • SF555BL24O

Other Registry Number

  • 534-83-8

System Generated Number

  • 0028994414

Structure Descriptors

InChI

1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2

InChIKey

CDMGNVWZXRKJNS-UHFFFAOYSA-N

Smiles

c1(Cc2ccccc2)c(cccc1)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 21 deg C   EXP
Boiling Point 312 deg C   EXP
log P (octanol-water) 3.540 (none)   EST
Atmospheric OH Rate Constant 4.65E-11 cm3/molecule-sec 25 EST

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