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CHEBI:87432 - methyl octanoate
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ChEBI Name
methyl octanoate
ChEBI ID
CHEBI:87432
Definition
A fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H18O2
Net Charge
0
Average Mass
158.23800
Monoisotopic Mass
158.13068
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey
JGHZJRVDZXSNKQ-UHFFFAOYSA-N
SMILES
CCCCCCCC(=O)OC
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
methyl octanoate (
CHEBI:87432
)
has role
metabolite (
CHEBI:25212
)
methyl octanoate (
CHEBI:87432
)
is a
fatty acid methyl ester (
CHEBI:4986
)
methyl octanoate (
CHEBI:87432
)
is a
octanoate ester (
CHEBI:87657
)
Incoming
methyl 8-(tetracyclo[6.4.0.0
2,7
.0
3,6
]dodec-10-yl)octanoate (
CHEBI:132947
)
has functional parent
methyl octanoate (
CHEBI:87432
)
IUPAC Name
methyl octanoate
Synonyms
Sources
caprylic acid methyl ester
ChEBI
methyl caprylate
ChEBI
octanoic acid methyl ester
ChEBI
Manual Xref
Database
HMDB0031291
HMDB
View more database links
Registry Numbers
Types
Sources
111-11-5
CAS Registry Number
ChemIDplus
111-11-5
CAS Registry Number
NIST Chemistry WebBook
1752270
Reaxys Registry Number
Reaxys
Last Modified
28 August 2015