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Substance Name: 2-Pentanone, 3,4-epoxy-4-methyl-
RN: 4478-63-1
InChIKey: NNQKVIBIXATSIX-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O2

Molecular Weight

  • 114.143
 
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Names and Synonyms

Synonyms

  • 3,3-Dimethyl-2-acetyloxirane
  • 3-Acetyl-2,2-dimethyloxirane
  • 4-Methyl-3,4-epoxypentan-2-one
  • AI3-03900
  • EINECS 224-758-9
  • Epoxymesityl oxide
  • NSC 139151

Systematic Names

  • 2-Pentanone, 3,4-epoxy-4-methyl-
  • 3,4-Epoxy-4-methylpentan-2-one
  • Ethanone, 1-(3,3-dimethyloxiranyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 4478-63-1

System Generated Number

  • 0004478631

Structure Descriptors

InChI

1S/C6H10O2/c1-4(7)5-6(2,3)8-5/h5H,1-3H3

InChIKey

NNQKVIBIXATSIX-UHFFFAOYSA-N

Smiles

C1([C@@H](C(C)=O)O1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2240mg/kg (2240mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.
rat LD50 oral 1610mg/kg (1610mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.