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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:27434 -
o
-tolualdehyde
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ChEBI Name
o
-tolualdehyde
ChEBI ID
CHEBI:27434
ChEBI ASCII Name
o-tolualdehyde
Definition
A tolualdehyde compound with the methyl substituent at the 2-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1197, CHEBI:19689
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Formula
C8H8O
Net Charge
0
Average Mass
120.14850
Monoisotopic Mass
120.05751
InChI
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChIKey
BTFQKIATRPGRBS-UHFFFAOYSA-N
SMILES
Cc1ccccc1C=O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
o
-tolualdehyde (
CHEBI:27434
)
has role
plant metabolite (
CHEBI:76924
)
o
-tolualdehyde (
CHEBI:27434
)
is a
tolualdehyde (
CHEBI:27020
)
IUPAC Name
2-methylbenzaldehyde
Synonyms
Sources
2-Formyltoluene
KEGG COMPOUND
2-Methylbenzaldehyde
KEGG COMPOUND
2-Tolualdehyde
NIST Chemistry WebBook
o-Methylbenazldehyde
ChemIDplus
o-Tolualdehyde
KEGG COMPOUND
o-Toluic aldehyde
KEGG COMPOUND
o-Toluylaldehyde
ChemIDplus
o-Tolylaldehyde
ChemIDplus
Manual Xrefs
Databases
C07214
KEGG COMPOUND
HMDB0029636
HMDB
View more database links
Registry Numbers
Types
Sources
3304
Gmelin Registry Number
Gmelin
529-20-4
CAS Registry Number
KEGG COMPOUND
529-20-4
CAS Registry Number
NIST Chemistry WebBook
529-20-4
CAS Registry Number
ChemIDplus
605841
Beilstein Registry Number
Beilstein
605841
Reaxys Registry Number
Reaxys
Citations
Types
Sources
20016999
PubMed citation
Europe PMC
24312872
PubMed citation
Europe PMC
Last Modified
28 January 2014