CHEBI:27434 - o-tolualdehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Supplier Information
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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 Waiting for Citations Types Sources
20016999 PubMed citation Europe PMC
24312872 PubMed citation Europe PMC
Last Modified
28 January 2014