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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:48408 - ethyl vanillin
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ChEBI Name
ethyl vanillin
ChEBI ID
CHEBI:48408
Definition
A member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:48389, CHEBI:31579
Supplier Information
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Read full article at Wikipedia
Formula
C9H10O3
Net Charge
0
Average Mass
166.17390
Monoisotopic Mass
166.06299
InChI
InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChIKey
CBOQJANXLMLOSS-UHFFFAOYSA-N
SMILES
[H]C(=O)c1ccc(O)c(OCC)c1
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
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
ethyl vanillin (
CHEBI:48408
)
has functional parent
vanillin (
CHEBI:18346
)
ethyl vanillin (
CHEBI:48408
)
has role
antioxidant (
CHEBI:22586
)
ethyl vanillin (
CHEBI:48408
)
has role
flavouring agent (
CHEBI:35617
)
ethyl vanillin (
CHEBI:48408
)
is a
aromatic ether (
CHEBI:35618
)
ethyl vanillin (
CHEBI:48408
)
is a
benzaldehydes (
CHEBI:22698
)
ethyl vanillin (
CHEBI:48408
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
3-ethoxy-4-hydroxybenzaldehyde
Synonyms
Sources
2-Ethoxy-4-formylphenol
ChemIDplus
3-ethoxyprotocatechualdehyde
ChemIDplus
4-hydroxy-3-ethoxybenzaldehyde
ChEBI
bourbonal
ChemIDplus
ethyl protal
ChemIDplus
Ethyl vanillin
KEGG DRUG
vanilal
ChemIDplus
Manual Xrefs
Databases
CN101417931
Patent
D01086
KEGG DRUG
Ethylvanillin
Wikipedia
HMDB0029665
HMDB
WO2011042365
Patent
View more database links
Registry Numbers
Types
Sources
1073761
Reaxys Registry Number
Reaxys
121-32-4
CAS Registry Number
ChemIDplus
121-32-4
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
20195833
PubMed citation
Europe PMC
22146718
PubMed citation
Europe PMC
3160401
PubMed citation
Europe PMC
Last Modified
18 February 2014