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CHEBI:34056 - octane-1,2-diol

ChEBI IDCHEBI:34056
ChEBI Nameoctane-1,2-diol
Stars
Last Modified23 March 2007
DownloadsMolfile
FormulaC8H18O2
Net Charge0
Average Mass146.230
Monoisotopic Mass146.13068
SMILESCCCCCCC(O)CO
InChIInChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
InChIKeyAEIJTFQOBWATKX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
octane-1,2-diol (CHEBI:34056) is a octanediol (CHEBI:37872)
Incoming Relation(s)
(2R)-octane-1,2-diol (CHEBI:37874) is a octane-1,2-diol (CHEBI:34056)
(2S)-octane-1,2-diol (CHEBI:37873) is a octane-1,2-diol (CHEBI:34056)
IUPAC Name 
octane-1,2-diol
Synonyms  Source
1,2-OctanediolKEGG COMPOUND
1,2-DihydroxyoctaneKEGG COMPOUND
1,2-octylene glycolChemIDplus
Manual XrefsDatabases
C14273KEGG COMPOUND
Registry NumbersSources
Beilstein:1719619Beilstein
CAS:1117-86-8KEGG COMPOUND
CAS:1117-86-8NIST Chemistry WebBook
CAS:1117-86-8ChemIDplus