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Substance Name: 1-Hexen-3-ol, 1-(1,3-benzodioxol-5-yl)-5-methyl- (9CI)
RN: 58344-90-4
InChIKey: VWVFYXIICZUSHZ-HWKANZROSA-N

Molecular Formula

  • C14-H18-O3

Molecular Weight

  • 234.293
 
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Names and Synonyms

Synonyms

  • 5-Methyl-1-(3,4-methylenedioxyphenyl)-1-hexen-3-ol
  • BRN 1314545

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 58344-90-4

System Generated Number

  • 0058344904

Structure Descriptors

InChI

1S/C14H18O3/c1-10(2)7-12(15)5-3-11-4-6-13-14(8-11)17-9-16-13/h3-6,8,10,12,15H,7,9H2,1-2H3/b5-3+

InChIKey

VWVFYXIICZUSHZ-HWKANZROSA-N

Smiles

c12c(ccc(c1)\C=C\[C@@H](CC(C)C)O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.