EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31726 - isoamyl formate

ChEBI IDCHEBI:31726
ChEBI Nameisoamyl formate
Stars
DefinitionThe formate ester of isoamylol.
Last Modified17 February 2014
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILES[H]C(=O)OCCC(C)C
InChIInChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
InChIKeyXKYICAQFSCFURC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
isoamyl formate (CHEBI:31726) has functional parent isoamylol (CHEBI:15837)
isoamyl formate (CHEBI:31726) is a formate ester (CHEBI:52343)
IUPAC Name 
3-methylbutyl formate
Synonyms  Source
Isoamyl formateKEGG COMPOUND
Isoamyl methanoateChemIDplus
Isopentyl formateChemIDplus
Isopentyl methanoateChemIDplus
Formic acid, isopentyl esterChemIDplus
Manual XrefsDatabases
C12293KEGG COMPOUND
HMDB0034163HMDB
Registry NumbersSources
Reaxys:1739893Reaxys
CAS:110-45-2KEGG COMPOUND
CAS:110-45-2ChemIDplus
CAS:110-45-2NIST Chemistry WebBook
Citations