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InChI=1S/CH4O/c1-2/h2H,1H3
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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.
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This entity has been manually annotated by the ChEBI Team.
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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.
View more via ChEBI Ontology
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