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CHEBI:179546 - Isooctyl acetate

ChEBI IDCHEBI:179546
ChEBI NameIsooctyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCC(=O)OCCCCCC(C)C
InChIInChI=1S/C10H20O2/c1-9(2)7-5-4-6-8-12-10(3)11/h9H,4-8H2,1-3H3
InChIKeyDICUPLXUNISGAQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isooctyl acetate (CHEBI:179546) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
6-methylheptyl acetate
Manual XrefsDatabases
148086ChemSpider
Registry NumbersSources
CAS:31565-19-2ChemIDplus