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Substance Name: alpha-Ethylacrolein
RN: 922-63-4
InChIKey: GMLDCZYTIPCVMO-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H8-O

Molecular Weight

  • 84.1172
 
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Names and Synonyms

Name of Substance

  • alpha-Ethylacrolein

Synonyms

  • 2-Ethylacrolein
  • 2-Ethylpropenal
  • 2-Methylenebutanal
  • 2-Methylenebutyraldehyde
  • 4-01-00-03463 (Beilstein Handbook Reference)
  • alpha-Ethylacrylaldehyde
  • BRN 1098378
  • CCRIS 4932
  • EINECS 213-079-3
  • Ethacrolein
  • Ethylacrolein

Systematic Names

  • 2-Ethylacrolein
  • 2-Ethylacrylaldehyde
  • Butanal, 2-methylene-
  • Butanal, 2-methylene- (9CI)
  • Butyraldehyde, 2-methylene-

Superlist Name

  • Butanal, 2-methylene-

Registry Numbers

CAS Registry Number

  • 922-63-4

System Generated Number

  • 0000922634

Structure Descriptors

InChI

1S/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3

InChIKey

GMLDCZYTIPCVMO-UHFFFAOYSA-N

Smiles

C(=O)C(=C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 289ppm/4H (289ppm)   Toxicology. Vol. 22, Pg. 79, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 92.5 deg C   EXP
log P (octanol-water) 1.24 (none)   EXP
Water Solubility 1.12E+04 mg/L 25 EST
Vapor Pressure 36.4 mm Hg 25 EST
Henry's Law Constant 7.44E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.55E-11 cm3/molecule-sec 25 EST

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