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Substance Name: 1-Hexen-3-ol, 1-(1,3-benzodioxol-5-yl)- (9CI)
RN: 58344-85-7
InChIKey: PNJBAPUPVRFWAF-GQCTYLIASA-N

Molecular Formula

  • C13-H16-O3

Molecular Weight

  • 220.266
 
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Names and Synonyms

Synonyms

  • 1-(3,4-Methylenedioxyphenyl)-1-hexen-3-ol
  • 5-19-02-00639 (Beilstein Handbook Reference)
  • BRN 1313129

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 58344-85-7

System Generated Number

  • 0058344857

Structure Descriptors

InChI

1S/C13H16O3/c1-2-3-11(14)6-4-10-5-7-12-13(8-10)16-9-15-12/h4-8,11,14H,2-3,9H2,1H3/b6-4+

InChIKey

PNJBAPUPVRFWAF-GQCTYLIASA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.