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Substance Name: Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester
RN: 84006-42-8
InChIKey: UHQIGQXJPWOWIY-JLHYYAGUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H25-Cl-O4

Molecular Weight

  • 352.8555
 
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Names and Synonyms

Synonym

  • 2-((3-(4-Chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl hexanoate

Systematic Name

  • Hexanoic acid, 2-((3-(4-chlorophenyl)-1-oxo-2-propenyl)oxy)-1-methylpropyl ester

Registry Numbers

CAS Registry Number

  • 84006-42-8

System Generated Number

  • 0084006428

Structure Descriptors

InChI

1S/C19H25ClO4/c1-4-5-6-7-18(21)23-14(2)15(3)24-19(22)13-10-16-8-11-17(20)12-9-16/h8-15H,4-7H2,1-3H3/b13-10+

InChIKey

UHQIGQXJPWOWIY-JLHYYAGUSA-N

Smiles

CCCCCC(=O)OC(C)C(C)OC(=O)/C=C/c1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0056189,