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CHEBI:55461 - methylhexahydrophthalic anhydride

ChEBI IDCHEBI:55461
ChEBI Namemethylhexahydrophthalic anhydride
Stars
DefinitionA cyclic dicarboxylic anhydride that is the cyclic anhydride of methylhexahydrophthalic acid.
Last Modified15 March 2016
Submitterzjosephs
DownloadsMolfile
FormulaC9H12O3
Net Charge0
Average Mass168.192
Monoisotopic Mass168.07864
SMILESCC12CCCCC1C(=O)OC2=O
InChIInChI=1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3
InChIKeyVYKXQOYUCMREIS-UHFFFAOYSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application:
curing agent  A chemical additive used to toughen or harden a polymer material by cross-linking of polymer chains.
ChEBI Ontology
Outgoing Relation(s)
methylhexahydrophthalic anhydride (CHEBI:55461) has role allergen (CHEBI:50904)
methylhexahydrophthalic anhydride (CHEBI:55461) has role curing agent (CHEBI:75358)
methylhexahydrophthalic anhydride (CHEBI:55461) is a cyclic dicarboxylic anhydride (CHEBI:36609)
methylhexahydrophthalic anhydride (CHEBI:55461) is a tetrahydrofurandione (CHEBI:47022)
IUPAC Name 
3a-methylhexahydro-2-benzofuran-1,3-dione
Synonyms  Source
hexahydromethyl-1,3-isobenzofurandioneChemIDplus
methyl-1,2-cyclohexanedicarboxylic anhydrideChemIDplus
MHHPAChEBI
Manual XrefsDatabases
JP2004010535Patent
Registry NumbersSources
Reaxys:147628Reaxys
CAS:25550-51-0ChemIDplus
Citations