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CHEBI:87344 - diethylene glycol diacetate

ChEBI IDCHEBI:87344
ChEBI Namediethylene glycol diacetate
Stars
DefinitionAn acetate ester that is the diacetate obtained by the formal condensation of the two hydroxy groups of diethylene glycol with two molecules of acetic acid respectively.
Last Modified1 September 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14O5
Net Charge0
Average Mass190.195
Monoisotopic Mass190.08412
SMILESCC(=O)OCCOCCOC(C)=O
InChIInChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3
InChIKeyUBPGILLNMDGSDS-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)
diethylene glycol diacetate (CHEBI:87344) has functional parent diethylene glycol (CHEBI:46807)
diethylene glycol diacetate (CHEBI:87344) has role metabolite (CHEBI:25212)
diethylene glycol diacetate (CHEBI:87344) is a acetate ester (CHEBI:47622)
IUPAC Name 
oxydi(ethane-2,1-diyl) diacetate
Synonym  Source
Oxydiethylene acetateNIST Chemistry WebBook
Registry NumbersSources
Reaxys:1777856Reaxys
CAS:628-68-2ChemIDplus
CAS:628-68-2NIST Chemistry WebBook