CHEBI:34056 - octane-1,2-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name octane-1,2-diol
ChEBI ID CHEBI:34056
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H18O2
Net Charge 0
Average Mass 146.22732
Monoisotopic Mass 146.131
InChI InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3
InChIKey AEIJTFQOBWATKX-UHFFFAOYSA-N
SMILES CCCCCCC(O)CO
ChEBI Ontology
Outgoing octane-1,2-diol (CHEBI:34056) is a octanediol (CHEBI:37872)
Incoming (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 Sources
1,2-Dihydroxyoctane KEGG COMPOUND
1,2-Octanediol KEGG COMPOUND
1,2-octylene glycol ChemIDplus
Manual Xref Database
C14273 KEGG COMPOUND
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Registry Numbers Types Sources
1117-86-8 CAS Registry Number KEGG COMPOUND
1117-86-8 CAS Registry Number ChemIDplus
1117-86-8 CAS Registry Number NIST Chemistry WebBook
1719619 Beilstein Registry Number Beilstein
Last Modified
23 March 2007