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Substance Name: 2-Methylbenzhydrol
RN: 5472-13-9
UNII: 6ZBN87Y7J6
InChIKey: MXHXXJOHFRHBFB-UHFFFAOYSA-N

Note

  • Metabolite of orphenadrine.

Molecular Formula

  • C14-H14-O

Molecular Weight

  • 198.264
 
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Names and Synonyms

Name of Substance

  • 2-Methylbenzhydrol

Synonyms

  • (2-Methylphenyl)phenylmethanol
  • 2-Methylbenzhydrol
  • Benzenemethanol, 2-methyl-alpha-phenyl
  • Benzhydrol, 2-methyl-
  • EINECS 226-810-6
  • NSC 27910
  • UNII-6ZBN87Y7J6

Systematic Names

  • alpha-o-Tolylbenzyl alcohol
  • Benzenemethanol, 2-methyl-alpha-phenyl-

Registry Numbers

CAS Registry Number

  • 5472-13-9

FDA UNII

  • 6ZBN87Y7J6

Other Registry Number

  • 127309-00-6

System Generated Number

  • 0005472139

Structure Descriptors

InChI

1S/C14H14O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14-15H,1H3

InChIKey

MXHXXJOHFRHBFB-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)O)c(C)cccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.06 (none)   EXP
Water Solubility 352 mg/L 25 EST
Vapor Pressure 7.67E-06 mm Hg 25 EST
Henry's Law Constant 1.94E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-11 cm3/molecule-sec 25 EST

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