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Substance Name: Malonaldehyde
RN: 542-78-9
UNII: 4Y8F71G49Q
InChIKey: WSMYVTOQOOLQHP-UHFFFAOYSA-N

Note

  • The dialdehyde of malonic acid.

Molecular Formula

  • C3-H4-O2

Molecular Weight

  • 72.0626
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Malonaldehyde
  • Malondialdehyde

MeSH Heading

  • Malondialdehyde

Synonyms

  • 1,3-Propanedial
  • 1,3-Propanedialdehyde
  • 1,3-Propanedione
  • 4-01-00-03634 (Beilstein Handbook Reference)
  • BRN 1209262
  • CCRIS 5168
  • HSDB 4353
  • Malonaldehyde
  • Malondialdehyde
  • Malonic aldehyde
  • Malonic dialdehyde
  • Malonodialdehyde
  • Malonyldialdehyde
  • NCI-C54842
  • Propanedial
  • UNII-4Y8F71G49Q

Systematic Names

  • Malondialdehyde
  • Propanedial

Superlist Name

  • Malonaldehyde

Registry Numbers

CAS Registry Number

  • 542-78-9

FDA UNII

  • 4Y8F71G49Q

System Generated Number

  • 0000542789

Structure Descriptors

InChI

1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2

InChIKey

WSMYVTOQOOLQHP-UHFFFAOYSA-N

Smiles

C(C=O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 606mg/kg (606mg/kg)   Acta Universitatis Ouluensis, Series D: Medica. Vol. 55, Pg. 3, 1980.
rat LD50 oral 632mg/kg (632mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: MUSCLE WEAKNESS
Toxicology and Applied Pharmacology. Vol. 7, Pg. 826, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72 deg C   EXP
log P (octanol-water) -1.160 (none)   EST

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