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Substance Name: 1-Penten-3-ol, 1-(2-chloro-4,5-methylenedioxyphenyl)-4,4-dimethyl-
RN: 58345-04-3
InChIKey: QEOJXWCKXMKIBI-SNAWJCMRSA-N

Molecular Formula

  • C14-H17-Cl-O3

Molecular Weight

  • 268.7383
 
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Names and Synonyms

Synonyms

  • 1-(2-Chloro-4,5-methylenedioxyphenyl)-4,4-dimethyl-1-penten-3-ol
  • BRN 1316379

Systematic Name

  • 1-Penten-3-ol, 1-(2-chloro-4,5-methylenedioxyphenyl)-4,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 58345-04-3

System Generated Number

  • 0058345043

Structure Descriptors

InChI

1S/C14H17ClO3/c1-14(2,3)13(16)5-4-9-6-11-12(7-10(9)15)18-8-17-11/h4-7,13,16H,8H2,1-3H3/b5-4+

InChIKey

QEOJXWCKXMKIBI-SNAWJCMRSA-N

Smiles

CC(C)(C)C(/C=C/c1cc2c(cc1Cl)OCO2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.