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Substance Name: Methyl 2-acetylacetoacetate
RN: 4619-66-3
UNII: ULU5MKD9FL
InChIKey: UHCPCQYUMVLUKU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H10-O4

Molecular Weight

  • 158.152
 
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Names and Synonyms

Name of Substance

  • Methyl 2-acetylacetoacetate

Synonyms

  • 4-03-00-01780 (Beilstein Handbook Reference)
  • BRN 1706278
  • EINECS 225-031-9
  • Methyl 2-acetyl-3-oxobutanoate
  • Methyl diacetoacetate
  • Methyl diacetylacetate
  • Methylester kyseliny diacetoctove
  • Methylester kyseliny diacetoctove [Czech]
  • UNII-ULU5MKD9FL

Systematic Names

  • Acetoacetic acid, 2-acetyl-, methyl ester
  • Butanoic acid, 2-acetyl-3-oxo-, methyl ester (9CI)
  • Methyl 2-acetylacetoacetate

Registry Numbers

CAS Registry Number

  • 4619-66-3

FDA UNII

  • ULU5MKD9FL

System Generated Number

  • 0004619663

Structure Descriptors

InChI

1S/C7H10O4/c1-4(8)6(5(2)9)7(10)11-3/h6H,1-3H3

InChIKey

UHCPCQYUMVLUKU-UHFFFAOYSA-N

Smiles

C(C(OC)=O)(C(C)=O)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1700mg/kg (1700mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.