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CHEBI:197503 - octan-4-ol

ChEBI IDCHEBI:197503
ChEBI Nameoctan-4-ol
Stars
DefinitionA secondary alcohol that is octane substituted by a hydroxy group at position 4.
Last Modified25 October 2023
SubmitterAdnan
DownloadsMolfile
FormulaC8H18O
Net Charge0
Average Mass130.231
Monoisotopic Mass130.13577
SMILESCCCCC(O)CCC
InChIInChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyWOFPPJOZXUTRAU-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
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  Source
4-hydroxyoctaneChEBI
4-octanolNIST Chemistry WebBook
n-octan-4-olNIST Chemistry WebBook
butylpropylcarbinolChEBI
butyl propyl carbinolChEBI
4-octyl alcoholChEBI
Registry NumbersSources
Reaxys:1719296Reaxys
CAS:589-62-8NIST Chemistry WebBook
Citations