CHEBI:87270 - 2-(pentyloxy)ethyl acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(pentyloxy)ethyl acetate
ChEBI ID CHEBI:87270
Definition An acetate ester that is ethyl acetate substituted by a pentyloxy group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H18O3
Net Charge 0
Average Mass 174.23740
Monoisotopic Mass 174.12559
InChI InChI=1S/C9H18O3/c1-3-4-5-6-11-7-8-12-9(2)10/h3-8H2,1-2H3
InChIKey INRKVKPTZMIOTG-UHFFFAOYSA-N
SMILES CCCCCOCCOC(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-(pentyloxy)ethyl acetate (CHEBI:87270) has role metabolite (CHEBI:25212)
2-(pentyloxy)ethyl acetate (CHEBI:87270) is a acetate ester (CHEBI:47622)
2-(pentyloxy)ethyl acetate (CHEBI:87270) is a ether (CHEBI:25698)
IUPAC Name
2-(pentyloxy)ethyl acetate
Registry Number Type Source
1856516 Reaxys Registry Number Reaxys
Last Modified
03 September 2015