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CHEBI:70855 - monomethyl adipate

ChEBI IDCHEBI:70855
ChEBI Namemonomethyl adipate
Stars
DefinitionA dicarboxylic acid monoester that is the monomethyl ester of adipic acid.
Last Modified3 July 2014
Submittermwilliams
DownloadsMolfile
FormulaC7H12O4
Net Charge0
Average Mass160.169
Monoisotopic Mass160.07356
SMILESCOC(=O)CCCCC(=O)O
InChIInChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKeyUOBSVARXACCLLH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
plasticiser  Any compound that is used as an additive to increase the plasticity or fluidity of a substance, particularly but not exclusively to synthetic polymers.
ChEBI Ontology
Outgoing Relation(s)
monomethyl adipate (CHEBI:70855) has role metabolite (CHEBI:25212)
monomethyl adipate (CHEBI:70855) has role plasticiser (CHEBI:79056)
monomethyl adipate (CHEBI:70855) is a dicarboxylic acid monoester (CHEBI:36244)
IUPAC Name 
6-methoxy-6-oxohexanoic acid
Synonyms  Source
methyl adipateChEBI
Monomethyl 1,6-hexanedioateChemIDplus
Adipic acid monomethyl esterChemIDplus
1-methyl ester Hexanedioic acidChemIDplus
Manual XrefsDatabases
WO2008095614Patent
WO9843939Patent
Registry NumbersSources
Reaxys:1766411Reaxys
CAS:627-91-8ChemIDplus
Citations