EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:55466 - methyltetrahydrophthalic anhydride

ChEBI IDCHEBI:55466
ChEBI Namemethyltetrahydrophthalic anhydride
Stars
DefinitionA cyclic dicarboxylic anhydride that is the cyclic anhydride of methyltetrahydrophthalic acid.
Last Modified15 March 2016
Submitterzjosephs
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESCC12CC=CCC1C(=O)OC2=O
InChIInChI=1S/C9H10O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeySOOZEQGBHHIHEF-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.
ChEBI Ontology
Outgoing Relation(s)
methyltetrahydrophthalic anhydride (CHEBI:55466) has role allergen (CHEBI:50904)
methyltetrahydrophthalic anhydride (CHEBI:55466) is a cyclic dicarboxylic anhydride (CHEBI:36609)
methyltetrahydrophthalic anhydride (CHEBI:55466) is a tetrahydrofurandione (CHEBI:47022)
IUPAC Name 
3a-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Synonyms  Source
1,2,3,6-Tetrahydromethylphthalic anhydrideChemIDplus
Methyl tetrahydrophthalic anhydrideChemIDplus
3a,4,7,7a-tetrahydromethyl-1,3-isobenzofurandioneChemIDplus
MTHPAChEBI
1-methylcyclohex-4-ene-1,2-dicarboxylic acid anhydrideChEBI
Manual XrefsDatabases
US2794030Patent
Registry NumbersSources
Reaxys:82583Reaxys
CAS:26590-20-5ChemIDplus
CAS:26590-20-5NIST Chemistry WebBook
Citations