Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Hexen-3-one, 1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-
RN: 6641-82-3
InChIKey: HOOKDNNZCZMJNW-HWKANZROSA-N

Molecular Formula

  • C14-H16-O4

Molecular Weight

  • 248.276
 
* 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-(1,3-Benzodioxol-5-yl)-5-hydroxy-5-methyl-1-hexen-3-one
  • AI3-20892

Systematic Name

  • 1-Hexen-3-one, 1-(1,3-benzodioxol-5-yl)-5-hydroxy-5-methyl-

Registry Numbers

CAS Registry Number

  • 6641-82-3

System Generated Number

  • 0006641823

Structure Descriptors

InChI

1S/C14H16O4/c1-14(2,16)8-11(15)5-3-10-4-6-12-13(7-10)18-9-17-12/h3-7,16H,8-9H2,1-2H3/b5-3+

InChIKey

HOOKDNNZCZMJNW-HWKANZROSA-N

Smiles

c12c(OCO1)ccc(\C=C\C(CC(O)(C)C)=O)c2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   French Demande Patent Document. Vol. #2253503,