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Substance Name: Methacrolein
RN: 78-85-3
UNII: 9HRB24892H
InChIKey: STNJBCKSHOAVAJ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C4-H6-O

Molecular Weight

  • 70.0904
 
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Names and Synonyms

Name of Substance

  • Methacrolein
  • Methacrylaldehyde

Synonyms

  • 2-Methyl-2-propenal
  • 2-Methylacrolein
  • 2-Methylenepropanal
  • 2-Methylpropenal
  • 2-Methylpropenal [Czech]
  • 2-Propenal, 2-methyl-
  • 4-01-00-03455 (Beilstein Handbook Reference)
  • Acrolein, 2-methyl-
  • AI3-37779
  • alpha-Methylacrolein
  • BRN 1209258
  • CCRIS 1153
  • EINECS 201-150-1
  • HSDB 182
  • Isobutenal
  • Methacrolein
  • Methacrylaldehyde
  • Methacrylic aldehyde
  • Methakrylaldehyd
  • Methakrylaldehyd [Czech]
  • Methylacrylaldehyde
  • NSC 8260
  • UNII-9HRB24892H

Systematic Names

  • 2-Methyl-2-propenal
  • 2-Propenal, 2-methyl-
  • Methacrylaldehyde

Superlist Names

  • 2-Methylpropenal
  • 2-Propenal, 2-methyl-
  • Methacrylaldehyde
  • Methacrylaldehyde, inhibited
  • Methacrylaldehyde, inhibited [UN2396] [Flammable liquid]
  • UN2396

Registry Numbers

CAS Registry Number

  • 78-85-3

FDA UNII

  • 9HRB24892H

System Generated Number

  • 0000078853

Structure Descriptors

InChI

1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3

InChIKey

STNJBCKSHOAVAJ-UHFFFAOYSA-N

Smiles

C(=C)(C=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 430uL/kg (0.43mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
rat LCLo inhalation 125ppm/4H (125ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 oral 140mg/kg (140mg/kg)   Union Carbide Data Sheet. Vol. 7/21/1965,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.10E+01 deg C   EXP
Boiling Point 68.4 deg C   EXP
log P (octanol-water) 0.740 (none)   EST
Water Solubility 5.00E+04 mg/L 20 EXP
Vapor Pressure 155 mm Hg 25 EXP
Henry's Law Constant 2.32E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.35E-11 cm3/molecule-sec 25 EXP

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