CHEBI:179875 - 1-Methylbutyl butanoate

ChEBI IDCHEBI:179875
ChEBI Name1-Methylbutyl butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCC(=O)OC(C)CCC
InChIInChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
InChIKeyDJOCFLQKCMWABC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Methylbutyl butanoate (CHEBI:179875) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
pentan-2-yl butanoate
Manual XrefsDatabases
39430ChemSpider
HMDB0039219HMDB
LMFA07010712LIPID MAPS
Registry NumbersSources
CAS:60415-61-4ChemIDplus