2-ethylhexan-1-ol (CHEBI:16011)

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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

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.

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

Last Modified

13 November 2017