CHEBI:87393 - hexan-1-ol

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ChEBI Name hexan-1-ol
ChEBI ID CHEBI:87393
Definition A primary alcohol that is hexane substituted by a hydroxy group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:87439, CHEBI:43057
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Formula C6H14O
Net Charge 0
Average Mass 102.17480
Monoisotopic Mass 102.104
InChI InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N
SMILES CCCCCCO
Metabolite of Species Details
Evolvulus alsinoides (NCBI:txid439689) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing hexan-1-ol (CHEBI:87393) has role plant metabolite (CHEBI:76924)
hexan-1-ol (CHEBI:87393) is a primary alcohol (CHEBI:15734)
Incoming 2-ethylhexyl acetate (CHEBI:87392) has functional parent hexan-1-ol (CHEBI:87393)
hexyl acetate (CHEBI:87510) has functional parent hexan-1-ol (CHEBI:87393)
hexyl butyrate (CHEBI:87559) has functional parent hexan-1-ol (CHEBI:87393)
hexyl octanoate (CHEBI:87490) has functional parent hexan-1-ol (CHEBI:87393)
hexyl propanoate (CHEBI:87549) has functional parent hexan-1-ol (CHEBI:87393)
monohexyl phthalate (CHEBI:132604) has functional parent hexan-1-ol (CHEBI:87393)
IUPAC Name
hexan-1-ol
Synonyms Sources
1-Hexyl alcohol ChemIDplus
1-Hydroxyhexane ChemIDplus
Caproic alcohol ChemIDplus
hexanol ChEBI
n-Hexyl alcohol ChemIDplus
Manual Xrefs Databases
1-Hexanol Wikipedia
HE2 PDBeChem
HMDB0012971 HMDB
View more database links
Registry Numbers Types Sources
111-27-3 CAS Registry Number NIST Chemistry WebBook
111-27-3 CAS Registry Number ChemIDplus
969167 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24508043 PubMed citation Europe PMC
24634069 PubMed citation Europe PMC
Last Modified
15 July 2016