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Substance Name: Acetylacrolein
RN: 5729-47-5
InChIKey: GBLMMVFQENXAFZ-NSCUHMNNSA-N

Molecular Formula

  • C5-H6-O2

Molecular Weight

  • 98.1004
 
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Names and Synonyms

Name of Substance

  • Acetylacrolein

Synonyms

  • 3-Acetylacrolein
  • 4-Ketopentenal

Systematic Name

  • 2-Pentenal, 4-oxo-

Registry Numbers

CAS Registry Number

  • 5729-47-5

System Generated Number

  • 0005729475

Structure Descriptors

InChI

1S/C5H6O2/c1-5(7)3-2-4-6/h2-4H,1H3/b3-2+

InChIKey

GBLMMVFQENXAFZ-NSCUHMNNSA-N

Smiles

C(\C(C)=O)=C\C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Atmospheric OH Rate Constant 5.58E-11 cm3/molecule-sec 25 EXP

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