CHEBI:70855 - monomethyl adipate

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ChEBI Name monomethyl adipate
ChEBI ID CHEBI:70855
Definition A dicarboxylic acid monoester that is the monomethyl ester of adipic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0675060, eMolecules:707688, ZINC000019735340
Download Molfile XML SDF
Formula C7H12O4
Net Charge 0
Average Mass 160.16780
Monoisotopic Mass 160.07356
InChI InChI=1S/C7H12O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKey UOBSVARXACCLLH-UHFFFAOYSA-N
SMILES COC(=O)CCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-methyl ester Hexanedioic acid ChemIDplus
Adipic acid monomethyl ester ChemIDplus
methyl adipate ChEBI
Monomethyl 1,6-hexanedioate ChemIDplus
Manual Xrefs Databases
WO2008095614 Patent
WO9843939 Patent
View more database links
Registry Numbers Types Sources
1766411 Reaxys Registry Number Reaxys
627-91-8 CAS Registry Number ChemIDplus
Citations
Last Modified
03 July 2014