CHEBI:88653 - hexan-3-ol

ChEBI IDCHEBI:88653
ChEBI Namehexan-3-ol
Stars
DefinitionA hexanol in which the hydroxy group is at position 3.
Last Modified25 October 2023
DownloadsMolfile
FormulaC6H14O
Net Charge0
Average Mass102.177
Monoisotopic Mass102.10447
SMILESCCCC(O)CC
InChIInChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3
InChIKeyZOCHHNOQQHDWHG-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
pheromone  A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
hexan-3-ol (CHEBI:88653) has role flavouring agent (CHEBI:35617)
hexan-3-ol (CHEBI:88653) has role pheromone (CHEBI:26013)
hexan-3-ol (CHEBI:88653) has role plant metabolite (CHEBI:76924)
hexan-3-ol (CHEBI:88653) is a hexanol (CHEBI:143552)
hexan-3-ol (CHEBI:88653) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
hexan-3-ol
Synonyms  Source
FEMA 3351ChemIDplus
ethyl propyl carbinolChemIDplus
3-hexyl alcoholChemIDplus
3-hexanolChemIDplus
1-ethylbutanolChEBI
UniProt Name  Source
hexan-3-olUniProt
Manual XrefsDatabases
3-hexanolWikipedia
HMDB0031493HMDB
FDB008073FooDB
C00055659KNApSAcK
Registry NumbersSources
Reaxys:1718964Reaxys
CAS:623-37-0NIST Chemistry WebBook
CAS:623-37-0ChemIDplus
Citations