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CHEBI:27434 - o-tolualdehyde

ChEBI IDCHEBI:27434
ChEBI Nameo-tolualdehyde
Stars
ASCII Nameo-tolualdehyde
DefinitionA tolualdehyde compound with the methyl substituent at the 2-position.
Secondary ChEBI IDsCHEBI:1197, CHEBI:19689
Last Modified3 June 2024
DownloadsMolfile
FormulaC8H8O
Net Charge0
Average Mass120.151
Monoisotopic Mass120.05751
SMILESCc1ccccc1C=O
InChIInChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChIKeyBTFQKIATRPGRBS-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
o-tolualdehyde (CHEBI:27434) has role plant metabolite (CHEBI:76924)
o-tolualdehyde (CHEBI:27434) is a tolualdehyde (CHEBI:27020)
IUPAC Name 
2-methylbenzaldehyde
Synonyms  Source
2-MethylbenzaldehydeKEGG COMPOUND
o-TolualdehydeKEGG COMPOUND
2-FormyltolueneKEGG COMPOUND
o-Toluic aldehydeKEGG COMPOUND
2-TolualdehydeNIST Chemistry WebBook
o-MethylbenazldehydeChemIDplus
UniProt Name  Source
2-methylbenzaldehydeUniProt
Manual XrefsDatabases
C07214KEGG COMPOUND
HMDB0029636HMDB
Registry NumbersSources
Gmelin:3304Gmelin
Reaxys:605841Reaxys
CAS:529-20-4KEGG COMPOUND
CAS:529-20-4ChemIDplus
CAS:529-20-4NIST Chemistry WebBook
Citations