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Substance Name: 1-Penten-3-ol, 1-(1,3-benzodioxol-5-yl)-4-methyl- (9CI)
RN: 58344-86-8
InChIKey: NBMJKGAVROOBRU-HWKANZROSA-N

Molecular Formula

  • C13-H16-O3

Molecular Weight

  • 220.2664
 
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Names and Synonyms

Synonyms

  • 4-Methyl-1-(3,4-methylenedioxyphenyl)-1-penten-3-ol
  • 5-19-02-00639 (Beilstein Handbook Reference)
  • BRN 1313128

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 58344-86-8

System Generated Number

  • 0058344868

Structure Descriptors

InChI

1S/C13H16O3/c1-9(2)11(14)5-3-10-4-6-12-13(7-10)16-8-15-12/h3-7,9,11,14H,8H2,1-2H3/b5-3+

InChIKey

NBMJKGAVROOBRU-HWKANZROSA-N

Smiles

CC(C)C(/C=C/c1ccc2c(c1)OCO2)O

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.