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Substance Name: 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-6-methyl- (9CI)
RN: 58344-55-1
InChIKey: IBXZUVNPXSUMCU-QPJJXVBHSA-N

Molecular Formula

  • C15-H18-O3

Molecular Weight

  • 246.304
 
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Names and Synonyms

Synonym

  • 6-Methyl-1-(3,4-methylenedioxyphenyl)-1-hepten-3-one

Systematic Names

  • 1-Hepten-3-one, 1-(1,3-benzodioxol-5-yl)-6-methyl- (9CI)
  • 1-Hepten-3-one, 6-methyl-1-(3,4-methylenedioxyphenyl)-

Registry Numbers

CAS Registry Number

  • 58344-55-1

System Generated Number

  • 0058344551

Structure Descriptors

InChI

1S/C15H18O3/c1-11(2)3-6-13(16)7-4-12-5-8-14-15(9-12)18-10-17-14/h4-5,7-9,11H,3,6,10H2,1-2H3/b7-4+

InChIKey

IBXZUVNPXSUMCU-QPJJXVBHSA-N

Smiles

c12c(ccc(c1)\C=C\C(CCC(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,