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CHEBI:230546 - isopropyl acetate

ChEBI IDCHEBI:230546
ChEBI Nameisopropyl acetate
Stars
Last Modified15 May 2024
Submittermwilliams
DownloadsMolfile
FormulaC5H10O2
Net Charge0
Average Mass102.133
Monoisotopic Mass102.06808
SMILESCC(=O)OC(C)C
InChIInChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChIKeyJMMWKPVZQRWMSS-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) Cheese (NCIT:C178207) MetaboLights (MTBLS6968)
ChEBI Ontology
Outgoing Relation(s)
isopropyl acetate (CHEBI:230546) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
propan-2-yl acetate
Manual XrefsDatabases
HMDB0031241HMDB
Isopropyl_acetateWikipedia
Registry NumbersSources
CAS:108-21-4SUBMITTER