Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butanoic acid, 3-oxo-, 1-phenylethyl ester
RN: 40552-84-9
InChIKey: GSBJXOIVIOYPOW-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-O3

Molecular Weight

  • 206.24
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Phenylethyl 3-oxobutanoate
  • 1-Phenylethyl acetoacetate
  • alpha-Methylbenzyl acetoacetate
  • EINECS 254-973-3

Systematic Names

  • 1-Phenylethyl acetoacetate
  • Butanoic acid, 3-oxo-, 1-phenylethyl ester

Registry Numbers

CAS Registry Number

  • 40552-84-9

Other Registry Number

  • 134174-91-7

System Generated Number

  • 0040552849

Structure Descriptors

InChI

1S/C12H14O3/c1-9(13)8-12(14)15-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3

InChIKey

GSBJXOIVIOYPOW-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(CC(C)=O)=O)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 5450mg/kg (5450mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 50(5), Pg. 67, 1985.