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Substance Name: 1-Hexen-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- (9CI)
RN: 56750-95-9
InChIKey: GEJXZHXZIPMRPY-HWKANZROSA-N

Molecular Formula

  • C14-H16-O3

Molecular Weight

  • 232.277
 
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Names and Synonyms

Synonyms

  • 4-19-00-01767 (Beilstein Handbook Reference)
  • 5-Methyl-1-(3,4-methylenedioxyphenyl)-1-hexen-3-one
  • BRN 0018002

Systematic Names

  • 1-Hexen-3-one, 1-(1,3-benzodioxol-5-yl)-5-methyl- (9CI)
  • 1-Hexen-3-one, 5-methyl-1-(3,4-methylenedioxyphenyl)-

Registry Numbers

CAS Registry Number

  • 56750-95-9

System Generated Number

  • 0056750959

Structure Descriptors

InChI

1S/C14H16O3/c1-10(2)7-12(15)5-3-11-4-6-13-14(8-11)17-9-16-13/h3-6,8,10H,7,9H2,1-2H3/b5-3+

InChIKey

GEJXZHXZIPMRPY-HWKANZROSA-N

Smiles

c12c(ccc(c1)\C=C\C(CC(C)C)=O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   French Demande Patent Document. Vol. #2253503,