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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:87511 - nonyl acetate
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ChEBI Name
nonyl acetate
ChEBI ID
CHEBI:87511
Definition
The acetate ester of nonan-1-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H22O2
Net Charge
0
Average Mass
186.29120
Monoisotopic Mass
186.16198
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
InChIKey
GJQIMXVRFNLMTB-UHFFFAOYSA-N
SMILES
CCCCCCCCCOC(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
nonyl acetate (
CHEBI:87511
)
has functional parent
nonan-1-ol (
CHEBI:35986
)
nonyl acetate (
CHEBI:87511
)
has role
metabolite (
CHEBI:25212
)
nonyl acetate (
CHEBI:87511
)
is a
acetate ester (
CHEBI:47622
)
IUPAC Name
nonyl acetate
Synonym
Source
acetic acid nonyl ester
ChEBI
Manual Xrefs
Databases
HMDB0040266
HMDB
LMFA07010200
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
143-13-5
CAS Registry Number
ChemIDplus
143-13-5
CAS Registry Number
NIST Chemistry WebBook
1759352
Reaxys Registry Number
Reaxys
Last Modified
01 September 2015