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Substance Name: 2-Methylbutanone cyanohydrin
RN: 18936-17-9
UNII: R5Y900M14U
InChIKey: RCEJCSULJQNRQQ-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-N

Molecular Weight

  • 83.1331
 
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Names and Synonyms

Name of Substance

  • 2-Methylbutanone cyanohydrin

Synonyms

  • 2-Cyanobutane
  • 2-Methylbutanenitrile
  • 2-Methylbutyronitrile
  • alpha-Methylbutyronitrile
  • EC 242-687-1
  • EINECS 242-687-1
  • NSC 165615
  • UNII-R5Y900M14U

Systematic Names

  • 2-Methylbutyronitrile
  • Butanenitrile, 2-methyl-
  • Butyronitrile, 2-methyl-

Registry Numbers

CAS Registry Number

  • 18936-17-9

FDA UNII

  • R5Y900M14U

System Generated Number

  • 0018936179

Structure Descriptors

InChI

InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3

InChIKey

RCEJCSULJQNRQQ-UHFFFAOYSA-N

Smiles

CCC(C)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 23839ug/kg (23.839mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 125 deg C   EXP
log P (octanol-water) 1.05 (none)   EXP
Water Solubility 8890 mg/L 25 EST
Vapor Pressure 10.3 mm Hg 25 EST
Henry's Law Constant 7.15E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.94E-12 cm3/molecule-sec 25 EST

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