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> Main
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
130.13577
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 plant 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.
View more via ChEBI Ontology
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
Manual Xrefs
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
Types
Sources
22520499
PubMed citation
Europe PMC
24529788
PubMed citation
Europe PMC
24716585
PubMed citation
Europe PMC
Last Modified
13 November 2017