CHEBI:87266 - 5-chlorooctyl acetate

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ChEBI Name 5-chlorooctyl acetate
ChEBI ID CHEBI:87266
Definition An acetate ester that is octyl acetate substituted by a chloro group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H19ClO2
Net Charge 0
Average Mass 206.71000
Monoisotopic Mass 206.10736
InChI InChI=1S/C10H19ClO2/c1-3-6-10(11)7-4-5-8-13-9(2)12/h10H,3-8H2,1-2H3
InChIKey MCTSGNCLJHZLHV-UHFFFAOYSA-N
SMILES CCCC(Cl)CCCCOC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Number Type Source
6188730 Reaxys Registry Number Reaxys
Last Modified
03 September 2015