CHEBI:37869 - octan-2-ol

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ChEBI Name octan-2-ol
ChEBI ID CHEBI:37869
Definition An octanol carrying the hydroxy group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H18O
Net Charge 0
Average Mass 130.22792
Monoisotopic Mass 130.13577
InChI InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey SJWFXCIHNDVPSH-UHFFFAOYSA-N
SMILES CCCCCCC(C)O
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing octan-2-ol (CHEBI:37869) has role plant metabolite (CHEBI:76924)
octan-2-ol (CHEBI:37869) has role volatile oil component (CHEBI:27311)
octan-2-ol (CHEBI:37869) is a octanol (CHEBI:37868)
octan-2-ol (CHEBI:37869) is a secondary alcohol (CHEBI:35681)
Incoming (2R)-octan-2-ol (CHEBI:37871) is a octan-2-ol (CHEBI:37869)
(2S)-octan-2-ol (CHEBI:37870) is a octan-2-ol (CHEBI:37869)
IUPAC Name
octan-2-ol
Synonyms Sources
1-methyl-1-heptanol ChemIDplus
1-methylheptyl alcohol ChemIDplus
2-hydroxyoctane NIST Chemistry WebBook
2-octanol NIST Chemistry WebBook
2-octyl alcohol ChemIDplus
β-octyl alcohol NIST Chemistry WebBook
hexyl methyl carbinol ChemIDplus
hexylmethylcarbinol ChemIDplus
methyl hexyl carbinol ChemIDplus
methylhexylcarbinol ChemIDplus
n-octan-2-ol NIST Chemistry WebBook
s-octyl alcohol ChemIDplus
sec-caprylic alcohol NIST Chemistry WebBook
sec-octyl alcohol NIST Chemistry WebBook
secondary caprylic alcohol ChemIDplus
Manual Xref Database
2-Octanol Wikipedia
View more database links
Registry Numbers Types Sources
123-96-6 CAS Registry Number ChemIDplus
123-96-6 CAS Registry Number NIST Chemistry WebBook
131016 Gmelin Registry Number Gmelin
1719322 Beilstein Registry Number Beilstein
1719322 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22763743 PubMed citation Europe PMC
23918924 PubMed citation Europe PMC
IND44612730 Agricola citation Europe PMC
Last Modified
07 May 2019