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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:31832 - methyl salicylate
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ChEBI Ontology
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ChEBI Name
methyl salicylate
ChEBI ID
CHEBI:31832
Definition
A benzoate ester that is the methyl ester of salicylic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C8H8O3
Net Charge
0
Average Mass
152.14730
Monoisotopic Mass
152.04734
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey
OSWPMRLSEDHDFF-UHFFFAOYSA-N
SMILES
COC(=O)c1ccccc1O
Roles Classification
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
insect attractant
A chemical that attracts insects.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
methyl salicylate (
CHEBI:31832
)
has functional parent
salicylic acid (
CHEBI:16914
)
methyl salicylate (
CHEBI:31832
)
has role
flavouring agent (
CHEBI:35617
)
methyl salicylate (
CHEBI:31832
)
has role
insect attractant (
CHEBI:24850
)
methyl salicylate (
CHEBI:31832
)
has role
metabolite (
CHEBI:25212
)
methyl salicylate (
CHEBI:31832
)
is a
benzoate ester (
CHEBI:36054
)
methyl salicylate (
CHEBI:31832
)
is a
methyl ester (
CHEBI:25248
)
methyl salicylate (
CHEBI:31832
)
is a
salicylates (
CHEBI:26596
)
Synonyms
Sources
2-(Methoxycarbonyl)phenol
ChemIDplus
2-Carbomethoxyphenol
ChemIDplus
2-Hydroxybenzoic acid methyl ester
ChemIDplus
Betula oil
ChemIDplus
Gaultheria oil
ChemIDplus
Methyl 2-hydroxybenzoate
KEGG COMPOUND
Methyl o-hydroxybenzoate
ChemIDplus
methyl salicylate
UniProt
Natural wintergreen oil
ChemIDplus
Oil of wintergreen
ChemIDplus
Spicewood Oil
ChemIDplus
Sweet birch oil
ChemIDplus
Teaberry oil
ChemIDplus
Manual Xrefs
Databases
4245
DrugCentral
C00030767
KNApSAcK
C12305
KEGG COMPOUND
D01087
KEGG DRUG
Methyl_salicylate
Wikipedia
View more database links
Registry Numbers
Types
Sources
119-36-8
CAS Registry Number
NIST Chemistry WebBook
119-36-8
CAS Registry Number
ChemIDplus
971516
Reaxys Registry Number
Reaxys
Citations
Types
Sources
21249432
PubMed citation
Europe PMC
21287406
PubMed citation
Europe PMC
21327960
PubMed citation
Europe PMC
21404848
PubMed citation
Europe PMC
21609308
PubMed citation
Europe PMC
21790190
PubMed citation
Europe PMC
21936953
PubMed citation
Europe PMC
Last Modified
08 July 2022