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Substance Name: 1-(Ethan-1-ol)-2-methyl-3-hydroxypyridin-4-one
RN: 30652-21-2
InChIKey: ZJDRWNJIMXVJQG-UHFFFAOYSA-N

Molecular Formula

  • C8-H11-N-O3

Molecular Weight

  • 169.1789
 
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Names and Synonyms

Name of Substance

  • 1-(Ethan-1-ol)-2-methyl-3-hydroxypyridin-4-one

Synonyms

  • 3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
  • BRN 1454566
  • CP40
  • CP40 (Chelating agent)

Systematic Name

  • 4(1H)-Pyridinone, 3-hydroxy-1-(2-hydroxyethyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 30652-21-2

System Generated Number

  • 0030652212

Structure Descriptors

InChI

1S/C8H11NO3/c1-6-8(12)7(11)2-3-9(6)4-5-10/h2-3,10,12H,4-5H2,1H3

InChIKey

ZJDRWNJIMXVJQG-UHFFFAOYSA-N

Smiles

CC1=C(O)C(=O)C=CN1CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 708mg/kg (708mg/kg)   Blood. Vol. 76, Pg. 2389, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.10E+00 (none)   EXP
Water Solubility 5.40E+05 mg/L 25 EST
Vapor Pressure 3.80E-07 mm Hg 25 EST
Henry's Law Constant 9.34E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-10 cm3/molecule-sec 25 EST

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