CHEBI:87544 - 2-acetoxypropanal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-acetoxypropanal
ChEBI ID CHEBI:87544
Definition An aldehyde that is propanal substituted by an acetoxy group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5H8O3
Net Charge 0
Average Mass 116.11520
Monoisotopic Mass 116.04734
InChI InChI=1S/C5H8O3/c1-4(3-6)8-5(2)7/h3-4H,1-2H3
InChIKey FXPPNKAYSGWCQG-UHFFFAOYSA-N
SMILES CC(OC(C)=O)C=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-acetoxypropanal (CHEBI:87544) has role metabolite (CHEBI:25212)
2-acetoxypropanal (CHEBI:87544) is a acetate ester (CHEBI:47622)
2-acetoxypropanal (CHEBI:87544) is a aldehyde (CHEBI:17478)
IUPAC Name
1-oxopropan-2-yl acetate
Synonyms Sources
1-formylethyl acetate ChemIDplus
α-acetoxypropionaldehyde ChEBI
Manual Xref Database
EP0103891 Patent
View more database links
Registry Numbers Types Sources
1701193 Reaxys Registry Number Reaxys
22094-23-1 CAS Registry Number NIST Chemistry WebBook
22094-23-1 CAS Registry Number ChemIDplus
Last Modified
18 August 2015