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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:87496 - octyl formate
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ChEBI Name
octyl formate
ChEBI ID
CHEBI:87496
Definition
A formate ester of octan-1-ol.
Stars
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/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3
InChIKey
AVBRYQRTMPHARE-UHFFFAOYSA-N
SMILES
CCCCCCCCOC=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
octyl formate (
CHEBI:87496
)
has functional parent
octan-1-ol (
CHEBI:16188
)
octyl formate (
CHEBI:87496
)
has role
metabolite (
CHEBI:25212
)
octyl formate (
CHEBI:87496
)
is a
formate ester (
CHEBI:52343
)
IUPAC Name
octyl formate
Synonyms
Sources
n-Octyl formate
ChemIDplus
Octyl methanoate
ChemIDplus
Manual Xrefs
Databases
HMDB0038603
HMDB
LMFA07010980
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
112-32-3
CAS Registry Number
NIST Chemistry WebBook
112-32-3
CAS Registry Number
ChemIDplus
1755259
Reaxys Registry Number
Reaxys
Citation
Type
Source
12710734
PubMed citation
Europe PMC
Last Modified
17 August 2015