OntologieschebiclassesCHEBI:87809   
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2-ethylhexanal
http://purl.obolibrary.org/obo/CHEBI_87809

A saturated fatty aldehyde that is heptane in which one of the hydrogens at position 3 has been replaced by a formyl group. It is a metabolite of the plasticisers di-2-ethylhexyl phthalate (DEHP) and di-2-ethylhexyl adipate (DEHA).

Also appears inslmgo
Exact Synonyms
2-ethylhexanal
Related Synonyms
2-ethylcaproaldehyde
2-ethylhexaldehyde
2-ethylhexan-1-al
2-ethylhexylaldehyde
3-formylheptane
alpha-ethylcaproaldehyde
alpha-ethylhexanal
beta-propyl-alpha-ethylacrolein
butyl ethyl acetaldehyde
butylethylacetaldehyde
ethylbutylacetaldehyde
class Information
charge

0

formula

C8H16O

has_obo_namespace

chebi_ontology

inchikey

LGYNIFWIKSEESD-UHFFFAOYSA-N

inchi

InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3

in_subset

3_STAR

mass

128.212

monoisotopicmass

128.12012

smiles

O=CC(CCCC)CC

class Relations