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Substance Name: Benzohydrol
RN: 91-01-0
UNII: S4HQ1H8OWD
InChIKey: QILSFLSDHQAZET-UHFFFAOYSA-N

Molecular Formula

  • C13-H12-O

Molecular Weight

  • 184.237
 
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Names and Synonyms

Name of Substance

  • Benzohydrol

Synonyms

  • 4-06-00-04648 (Beilstein Handbook Reference)
  • AI3-03066
  • Benzhydryl alcohol
  • Benzohydrol
  • BRN 1424379
  • Diphenyl carbinol
  • Diphenylcarbinol
  • Diphenylmethanol
  • Diphenylmethyl alcohol
  • EINECS 202-033-8
  • Hydroxydiphenylmethane
  • NSC 32150
  • UNII-S4HQ1H8OWD

Systematic Names

  • alpha-Phenylbenzenemethanol
  • Benzenemethanol, alpha-phenyl-
  • Benzhydrol
  • Benzhydryl alcohol

Registry Numbers

CAS Registry Number

  • 91-01-0

FDA UNII

  • S4HQ1H8OWD

System Generated Number

  • 0000091010

Structure Descriptors

InChI

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

InChIKey

QILSFLSDHQAZET-UHFFFAOYSA-N

Smiles

c1(C(c2ccccc2)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 2gm/kg (2000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 24, Pg. 405, 1925.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 713, 1979.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 713, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 69 deg C   EXP
Boiling Point 298 deg C   EXP
log P (octanol-water) 2.67 (none)   EXP
Water Solubility 520 mg/L 25 EXP
Vapor Pressure 2.73E-05 mm Hg 20 EXP
Henry's Law Constant 1.32E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.62E-11 cm3/molecule-sec 25 EST

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