Terminology Service for NFDI4Health
2-ethylhexanal
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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A saturated fatty aldehyde that is heptane in which one of the hydrogens at position 3 has been replaced by a formyl group.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).
Term info
Label
2-ethylhexanal
Synonyms
- 2-ethylhexanal
Subsets
3_STAR
charge
0
formula
C8H16O
has obo namespace
chebi_ontology
has related synonym
butyl ethyl acetaldehyde, 2-ethylhexaldehyde, 3-formylheptane, alpha-ethylhexanal, butylethylacetaldehyde, ethylbutylacetaldehyde, beta-propyl-alpha-ethylacrolein, 2-ethylhexan-1-al, 2-ethylhexylaldehyde, 2-ethylcaproaldehyde, alpha-ethylcaproaldehyde
id
CHEBI:87809
inchi
InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
inchikey
LGYNIFWIKSEESD-UHFFFAOYSA-N
mass
128.212
monoisotopicmass
128.12012
smiles
O=CC(CCCC)CC
Term relations
Subclass of:
- saturated fatty aldehyde
- has role some bacterial xenobiotic metabolite
- has role some fungal metabolite