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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.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H20O2
Net Charge
0
Average Mass
172.26460
Monoisotopic Mass
172.14633
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.
View more via ChEBI Ontology
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