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CHEBI:179545 - 3-Octyl acetate

ChEBI IDCHEBI:179545
ChEBI Name3-Octyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCCCCC(CC)OC(C)=O
InChIInChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
InChIKeySTZUZYMKSMSTOU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Octyl acetate (CHEBI:179545) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
octan-3-yl acetate
Manual XrefsDatabases
454668ChemSpider
HMDB0040167HMDB
Registry NumbersSources
CAS:4864-61-3ChemIDplus