CHEBI:87511 - nonyl acetate

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ChEBI Name nonyl acetate
ChEBI ID CHEBI:87511
Definition The acetate ester of nonan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H22O2
Net Charge 0
Average Mass 186.29120
Monoisotopic Mass 186.16198
InChI InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
InChIKey GJQIMXVRFNLMTB-UHFFFAOYSA-N
SMILES CCCCCCCCCOC(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 nonyl acetate (CHEBI:87511) has functional parent nonan-1-ol (CHEBI:35986)
nonyl acetate (CHEBI:87511) has role metabolite (CHEBI:25212)
nonyl acetate (CHEBI:87511) is a acetate ester (CHEBI:47622)
IUPAC Name
nonyl acetate
Synonym Source
acetic acid nonyl ester ChEBI
Manual Xrefs Databases
HMDB0040266 HMDB
LMFA07010200 LIPID MAPS
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Registry Numbers Types Sources
143-13-5 CAS Registry Number ChemIDplus
143-13-5 CAS Registry Number NIST Chemistry WebBook
1759352 Reaxys Registry Number Reaxys
Last Modified
01 September 2015