EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:103210 - hexahydrophthalic anhydride

ChEBI IDCHEBI:103210
ChEBI Namehexahydrophthalic anhydride
Stars
DefinitionA cyclic dicarboxylic anhydride that is the cyclic anhydride of hexahydrophthalic acid.
Last Modified15 March 2016
DownloadsMolfile
FormulaC8H10O3
Net Charge0
Average Mass154.165
Monoisotopic Mass154.06299
SMILESO=C1OC(=O)C2CCCCC12
InChIInChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2
InChIKeyMUTGBJKUEZFXGO-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)
hexahydrophthalic anhydride (CHEBI:103210) has role allergen (CHEBI:50904)
hexahydrophthalic anhydride (CHEBI:103210) is a cyclic dicarboxylic anhydride (CHEBI:36609)
hexahydrophthalic anhydride (CHEBI:103210) is a tetrahydrofurandione (CHEBI:47022)
IUPAC Name 
hexahydro-2-benzofuran-1,3-dione
Synonyms  Source
1,2-Cyclohexanedicarboxylic acid anhydrideChemIDplus
Hexahydrophthalic acid anhydrideChemIDplus
Cyclohexane-1,2-dicarboxylic anhydrideChemIDplus
HHPAChemIDplus
1,2-Cyclohexanedicarboxylic anhydrideChemIDplus
hexahydro-1,3-isobenzofurandioneChemIDplus
Manual XrefsDatabases
KR20100115622Patent
Registry NumbersSources
Reaxys:83213Reaxys
CAS:85-42-7ChemIDplus
CAS:85-42-7NIST Chemistry WebBook
Citations