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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
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.
View more via ChEBI Ontology
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
(2
R
)-octan-2-ol (
CHEBI:37871
)
is a
octan-2-ol (
CHEBI:37869
)
(2
S
)-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 Xrefs
Databases
2-Octanol
Wikipedia
FDB003342
FooDB
LMFA05000620
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
123-96-6
CAS Registry Number
NIST Chemistry WebBook
123-96-6
CAS Registry Number
ChemIDplus
131016
Gmelin Registry Number
Gmelin
1719322
Reaxys Registry Number
Reaxys
1719322
Beilstein Registry Number
Beilstein
Citations
Types
Sources
22763743
PubMed citation
Europe PMC
23918924
PubMed citation
Europe PMC
32278948
PubMed citation
Europe PMC
36135888
PubMed citation
Europe PMC
IND44612730
Agricola citation
Europe PMC
Last Modified
25 October 2023