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CHEBI:37870 - (2S)-octan-2-ol

ChEBI IDCHEBI:37870
ChEBI Name(2S)-octan-2-ol
Stars
ASCII Name(2S)-octan-2-ol
Last Modified23 March 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H18O
Net Charge0
Average Mass130.231
Monoisotopic Mass130.13577
SMILESCCCCCC[C@H](C)O
InChIInChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeySJWFXCIHNDVPSH-QMMMGPOBSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
(2S)-octan-2-ol (CHEBI:37870) is a octan-2-ol (CHEBI:37869)
(2S)-octan-2-ol (CHEBI:37870) is enantiomer of (2R)-octan-2-ol (CHEBI:37871)
Incoming Relation(s)
(2R)-octan-2-ol (CHEBI:37871) is enantiomer of (2S)-octan-2-ol (CHEBI:37870)
IUPAC Name 
(2S)-octan-2-ol
Synonyms  Source
(S)-(+)-2-octanolNIST Chemistry WebBook
d-octan-2-olChemIDplus
(S)-2-octanolNIST Chemistry WebBook
(2S)-2-octanolChemIDplus
Registry NumbersSources
Beilstein:1719323Beilstein
Beilstein:3587249Beilstein
Beilstein:4229684Beilstein
Gmelin:602006Gmelin
CAS:6169-06-8NIST Chemistry WebBook
CAS:6169-06-8ChemIDplus