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CHEBI:231656 - 4-sulfanyloctan-1-ol

ChEBI IDCHEBI:231656
ChEBI Name4-sulfanyloctan-1-ol
Stars
DefinitionAn alkanethiol that is octane substituted at positions 1 and 4 by hydroxy and sulfanyl groups respectively.
Last Modified28 June 2024
SubmitterAdnan
DownloadsMolfile
FormulaC8H18OS
Net Charge0
Average Mass162.298
Monoisotopic Mass162.10784
SMILESCCCCC(S)CCCO
InChIInChI=1S/C8H18OS/c1-2-3-5-8(10)6-4-7-9/h8-10H,2-7H2,1H3
InChIKeyJANHCJQUCRCVOO-UHFFFAOYSA-N
Roles Classification
Biological Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
4-sulfanyloctan-1-ol (CHEBI:231656) has parent hydride octane (CHEBI:17590)
4-sulfanyloctan-1-ol (CHEBI:231656) has role flavouring agent (CHEBI:35617)
4-sulfanyloctan-1-ol (CHEBI:231656) is a alkanethiol (CHEBI:47908)
4-sulfanyloctan-1-ol (CHEBI:231656) is a primary alcohol (CHEBI:15734)
IUPAC Name 
4-sulfanyloctan-1-ol
Synonyms  Source
4-mercaptooctan-1-olIUPAC
FEMA 4983ChEBI
4-mercapto-1-octanolChEBI
Manual XrefsDatabases
JP7154719Patent
Registry NumbersSources
CAS:2491702-14-6ChEBI