CHEBI:87344 - diethylene glycol diacetate

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ChEBI Name diethylene glycol diacetate
ChEBI ID CHEBI:87344
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H14O5
Net Charge 0
Average Mass 190.19380
Monoisotopic Mass 190.08412
InChI InChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3
InChIKey UBPGILLNMDGSDS-UHFFFAOYSA-N
SMILES CC(=O)OCCOCCOC(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.
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ChEBI Ontology
Outgoing 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 acetate NIST Chemistry WebBook
Registry Numbers Types Sources
1777856 Reaxys Registry Number Reaxys
628-68-2 CAS Registry Number ChemIDplus
628-68-2 CAS Registry Number NIST Chemistry WebBook
Last Modified
01 September 2015