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Substance Name: Butanoic acid, 3-oxo-, 2-(acetyloxy)ethyl ester
RN: 34500-18-0
InChIKey: NGAVSCAXDJMZQP-UHFFFAOYSA-N

Molecular Formula

  • C8-H12-O5

Molecular Weight

  • 188.178
 
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Names and Synonyms

Synonyms

  • 2-Acetoxyethyl acetoacetate
  • 2-Acetoxyethyl acetylacetate
  • 3-Oxobutanoic acid 2-(acetyloxy)ethyl ester
  • 4-03-00-01543 (Beilstein Handbook Reference)
  • Acetoacetic acid, 2-acetoxyethyl ester
  • BRN 1781575

Systematic Name

  • Butanoic acid, 3-oxo-, 2-(acetyloxy)ethyl ester

Registry Numbers

CAS Registry Number

  • 34500-18-0

System Generated Number

  • 0034500180

Structure Descriptors

InChI

1S/C8H12O5/c1-6(9)5-8(11)13-4-3-12-7(2)10/h3-5H2,1-2H3

InChIKey

NGAVSCAXDJMZQP-UHFFFAOYSA-N

Smiles

C(CC(C)=O)(=O)OCCOC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 16mL/kg (16mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 11300uL/kg (11.3mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.