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CHEBI:87360 - 1,3-diacetoxypropane

ChEBI IDCHEBI:87360
ChEBI Name1,3-diacetoxypropane
Stars
DefinitionAn acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid.
Last Modified1 September 2015
Submitternamrata
DownloadsMolfile
FormulaC7H12O4
Net Charge0
Average Mass160.169
Monoisotopic Mass160.07356
SMILESCC(=O)OCCCOC(C)=O
InChIInChI=1S/C7H12O4/c1-6(8)10-4-3-5-11-7(2)9/h3-5H2,1-2H3
InChIKeyDSVGICPKBRQDDX-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1,3-diacetoxypropane (CHEBI:87360) has functional parent propane-1,3-diol (CHEBI:16109)
1,3-diacetoxypropane (CHEBI:87360) has role metabolite (CHEBI:25212)
1,3-diacetoxypropane (CHEBI:87360) is a acetate ester (CHEBI:47622)
1,3-diacetoxypropane (CHEBI:87360) is a diester (CHEBI:51307)
IUPAC Name 
propane-1,3-diyl diacetate
Registry NumbersSources
Reaxys:1705913Reaxys
CAS:628-66-0ChemIDplus
CAS:628-66-0NIST Chemistry WebBook