CHEBI:87392 - 2-ethylhexyl acetate

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ChEBI Name 2-ethylhexyl acetate
ChEBI ID CHEBI:87392
Definition An acetate ester that is hexyl acetate substituted by an ethyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H20O2
Net Charge 0
Average Mass 172.26460
Monoisotopic Mass 172.146
InChI InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3
InChIKey WOYWLLHHWAMFCB-UHFFFAOYSA-N
SMILES CCCCC(CC)COC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
2-Ethyl-1-hexanol acetate ChemIDplus
2-Ethylhexanyl acetate ChemIDplus
2-Ethylhexyl ethanoate ChemIDplus
Registry Numbers Types Sources
103-09-3 CAS Registry Number ChemIDplus
1758321 Reaxys Registry Number Reaxys
Last Modified
28 August 2015