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CHEBI:87392 - 2-ethylhexyl acetate

ChEBI IDCHEBI:87392
ChEBI Name2-ethylhexyl acetate
Stars
DefinitionAn acetate ester that is hexyl acetate substituted by an ethyl group at position 2.
Last Modified28 August 2015
Submitternamrata
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCCCC(CC)COC(C)=O
InChIInChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
InChIKeyWOYWLLHHWAMFCB-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-ethylhexyl acetate (CHEBI:87392) has functional parent hexan-1-ol (CHEBI:87393)
2-ethylhexyl acetate (CHEBI:87392) has role metabolite (CHEBI:25212)
2-ethylhexyl acetate (CHEBI:87392) is a acetate ester (CHEBI:47622)
IUPAC Name 
2-ethylhexyl acetate
Synonyms  Source
2-Ethyl-1-hexanol acetateChemIDplus
2-Ethylhexanyl acetateChemIDplus
2-Ethylhexyl ethanoateChemIDplus
Registry NumbersSources
Reaxys:1758321Reaxys
CAS:103-09-3ChemIDplus