CHEBI:16011 - 2-ethylhexan-1-ol

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ChEBI Name 2-ethylhexan-1-ol
ChEBI ID CHEBI:16011
Definition A primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11574, CHEBI:1093, CHEBI:19574
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Formula C8H18O
Net Charge 0
Average Mass 130.22792
Monoisotopic Mass 130.136
InChI InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKey YIWUKEYIRIRTPP-UHFFFAOYSA-N
SMILES CCCCC(CC)CO
Roles Classification
Biological Role(s): volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
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 2-ethylhexan-1-ol (CHEBI:16011) has role plant metabolite (CHEBI:76924)
2-ethylhexan-1-ol (CHEBI:16011) has role volatile oil component (CHEBI:27311)
2-ethylhexan-1-ol (CHEBI:16011) is a primary alcohol (CHEBI:15734)
Incoming 2-ethylhexyl sulfate (CHEBI:88117) has functional parent 2-ethylhexan-1-ol (CHEBI:16011)
bis(2-ethylhexyl) adipate (CHEBI:34675) has functional parent 2-ethylhexan-1-ol (CHEBI:16011)
isatinone B (CHEBI:66088) has functional parent 2-ethylhexan-1-ol (CHEBI:16011)
mono(2-ethylhexyl) phthalate (CHEBI:17243) has functional parent 2-ethylhexan-1-ol (CHEBI:16011)
IUPAC Name
2-ethylhexan-1-ol
Synonyms Sources
2-ethyl-1-hexanol ChEBI
2-Ethyl-1-hexanol KEGG COMPOUND
2-Ethylhexan-1-ol KEGG COMPOUND
2-ethylhexan-1-ol UniProt
Database Links Databases
2-Ethylhexanol Wikipedia
C02498 KEGG COMPOUND
HMDB0031231 HMDB
View more database links
Registry Numbers Types Sources
104-76-7 CAS Registry Number KEGG COMPOUND
1719280 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22520499 PubMed citation Europe PMC
24529788 PubMed citation Europe PMC
24716585 PubMed citation Europe PMC
Last Modified
13 November 2017