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CHEBI:87510 - hexyl acetate
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ChEBI Name
hexyl acetate
ChEBI ID
CHEBI:87510
Definition
The acetate ester of hexan-1-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H16O2
Net Charge
0
Average Mass
144.21140
Monoisotopic Mass
144.11503
InChI
InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChIKey
AOGQPLXWSUTHQB-UHFFFAOYSA-N
SMILES
CCCCCCOC(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
hexyl acetate (
CHEBI:87510
)
has functional parent
hexan-1-ol (
CHEBI:87393
)
hexyl acetate (
CHEBI:87510
)
has role
metabolite (
CHEBI:25212
)
hexyl acetate (
CHEBI:87510
)
is a
acetate ester (
CHEBI:47622
)
IUPAC Name
hexyl acetate
Synonyms
Sources
hexyl acetate
UniProt
n-hexyl ethanoate
ChEBI
Manual Xrefs
Databases
Hexyl_acetate
Wikipedia
HMDB0029980
HMDB
LMFA07010184
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
142-92-7
CAS Registry Number
NIST Chemistry WebBook
142-92-7
CAS Registry Number
ChemIDplus
1747138
Reaxys Registry Number
Reaxys
Last Modified
10 September 2020