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CHEBI:87266 - 5-chlorooctyl acetate

ChEBI IDCHEBI:87266
ChEBI Name5-chlorooctyl acetate
Stars
DefinitionAn acetate ester that is octyl acetate substituted by a chloro group at position 5.
Last Modified3 September 2015
Submitternamrata
DownloadsMolfile
FormulaC10H19ClO2
Net Charge0
Average Mass206.713
Monoisotopic Mass206.10736
SMILESCCCC(Cl)CCCCOC(C)=O
InChIInChI=1S/C10H19ClO2/c1-3-6-10(11)7-4-5-8-13-9(2)12/h10H,3-8H2,1-2H3
InChIKeyMCTSGNCLJHZLHV-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-chlorooctyl acetate (CHEBI:87266) has role metabolite (CHEBI:25212)
5-chlorooctyl acetate (CHEBI:87266) is a acetate ester (CHEBI:47622)
5-chlorooctyl acetate (CHEBI:87266) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
5-chlorooctyl acetate
Registry NumbersSources
Reaxys:6188730Reaxys