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Substance Name: 4-Pyridineethanol
RN: 5344-27-4
UNII: I89RDQ5YD9
InChIKey: DWPYQDGDWBKJQL-UHFFFAOYSA-N

Molecular Formula

  • C7-H9-N-O

Molecular Weight

  • 123.154
 
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Names and Synonyms

Name of Substance

  • 4-Pyridineethanol

Synonyms

  • 2-(4-Pyridyl)ethanol
  • 2-(gamma-Pyridyl)ethanol
  • 4-(2-Hydroxyethyl)pyridine
  • 4-(beta-Hydroxyethyl)pyridine
  • 4-Ethanolpyridine
  • 4-Pyridineethanol
  • 5-21-02-00218 (Beilstein Handbook Reference)
  • BRN 0111361
  • EINECS 226-286-9
  • NSC 1096
  • UNII-I89RDQ5YD9

Systematic Name

  • 4-Pyridineethanol

Registry Numbers

CAS Registry Number

  • 5344-27-4

FDA UNII

  • I89RDQ5YD9

System Generated Number

  • 0005344274

Structure Descriptors

InChI

1S/C7H9NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2

InChIKey

DWPYQDGDWBKJQL-UHFFFAOYSA-N

Smiles

n1ccc(cc1)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01586,
mouse LD50 oral 2217mg/kg (2217mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 55, 1984.
rat LD50 oral 3500mg/kg (3500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 55, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 5.6 (none) 25 EXP
log P (octanol-water) 0.1 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 6.59E-03 mm Hg 25 EST
Henry's Law Constant 3.78E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.23E-12 cm3/molecule-sec 25 EST

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