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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:197503 - octan-4-ol
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ChEBI Ontology
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ChEBI Name
octan-4-ol
ChEBI ID
CHEBI:197503
Definition
A secondary alcohol that is octane substituted by a hydroxy group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H18O
Net Charge
0
Average Mass
130.231
Monoisotopic Mass
130.13577
InChI
InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3
InChIKey
WOFPPJOZXUTRAU-UHFFFAOYSA-N
SMILES
CCCCC(O)CCC
Roles Classification
Biological Role
(s):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
octan-4-ol (
CHEBI:197503
)
has role
xenobiotic metabolite (
CHEBI:76206
)
octan-4-ol (
CHEBI:197503
)
is a
octanol (
CHEBI:37868
)
octan-4-ol (
CHEBI:197503
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
octan-4-ol
Synonyms
Sources
4-hydroxyoctane
ChEBI
4-octanol
NIST Chemistry WebBook
4-octyl alcohol
ChEBI
butyl propyl carbinol
ChEBI
butylpropylcarbinol
ChEBI
n
-octan-4-ol
NIST Chemistry WebBook
Registry Numbers
Types
Sources
1719296
Reaxys Registry Number
Reaxys
589-62-8
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
10901696
PubMed citation
Europe PMC
11950291
PubMed citation
Europe PMC
12714082
PubMed citation
Europe PMC
2742496
PubMed citation
Europe PMC
34693949
PubMed citation
Europe PMC
Last Modified
25 October 2023