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CHEBI:28617 - p-tolualdehyde

ChEBI IDCHEBI:28617
ChEBI Namep-tolualdehyde
Stars
ASCII Namep-tolualdehyde
DefinitionA tolualdehyde compound with the methyl substituent at the 4-position.
Secondary ChEBI IDsCHEBI:10632, CHEBI:25831
Last Modified30 May 2024
DownloadsMolfile
FormulaC8H8O
Net Charge0
Average Mass120.151
Monoisotopic Mass120.05751
SMILESCc1ccc(C=O)cc1
InChIInChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKeyFXLOVSHXALFLKQ-UHFFFAOYSA-N
Wikipedia
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)
p-tolualdehyde (CHEBI:28617) has role plant metabolite (CHEBI:76924)
p-tolualdehyde (CHEBI:28617) is a tolualdehyde (CHEBI:27020)
IUPAC Name 
4-methylbenzaldehyde
Synonyms  Source
p-TolualdehydeKEGG COMPOUND
p-MethylbenzaldehydeKEGG COMPOUND
4-ToluylaldehydeKEGG COMPOUND
p-FormyltolueneKEGG COMPOUND
4-MethylbenzaldehydeChemIDplus
4-TolualdehydeChemIDplus
UniProt Name  Source
4-methylbenzaldehydeUniProt
Manual XrefsDatabases
C06758KEGG COMPOUND
CPD-8773MetaCyc
4-MethylbenzaldehydeWikipedia
HMDB0029638HMDB
Registry NumbersSources
Gmelin:27123Gmelin
Reaxys:385772Reaxys
CAS:104-87-0KEGG COMPOUND
CAS:104-87-0ChemIDplus
CAS:104-87-0NIST Chemistry WebBook
Citations