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CHEBI:16011 - 2-ethylhexan-1-ol

ChEBI IDCHEBI:16011
ChEBI Name2-ethylhexan-1-ol
Stars
DefinitionA primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2.
Secondary ChEBI IDsCHEBI:1093, CHEBI:11574, CHEBI:19574
Last Modified13 November 2017
DownloadsMolfile
FormulaC8H18O
Net Charge0
Average Mass130.231
Monoisotopic Mass130.13577
SMILESCCCCC(CC)CO
InChIInChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyYIWUKEYIRIRTPP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-Ethylhexan-1-olKEGG COMPOUND
2-Ethyl-1-hexanolKEGG COMPOUND
2-ethyl-1-hexanolChEBI
UniProt Name  Source
2-ethylhexan-1-olUniProt
Manual XrefsDatabases
C02498KEGG COMPOUND
C02498KEGG COMPOUND
HMDB0031231HMDB
2-EthylhexanolWikipedia
Registry NumbersSources
Reaxys:1719280Reaxys
CAS:104-76-7KEGG COMPOUND
Citations