CHEBI:28617 - p-tolualdehyde

Main ChEBI Ontology Automatic Xrefs
ChEBI Name p-tolualdehyde
ChEBI ID CHEBI:28617
ChEBI ASCII Name p-tolualdehyde
Definition A tolualdehyde compound with the methyl substituent at the 4-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10632, CHEBI:25831
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Formula C8H8O
Net Charge 0
Average Mass 120.14850
InChI InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKey FXLOVSHXALFLKQ-UHFFFAOYSA-N
SMILES Cc1ccc(C=O)cc1
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.
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ChEBI Ontology
Outgoing p-tolualdehyde (CHEBI:28617) has role plant metabolite (CHEBI:76924)
p-tolualdehyde (CHEBI:28617) is a tolualdehyde (CHEBI:27020)
IUPAC Name
4-methylbenzaldehyde
Synonyms Sources
4-Methylbenzaldehyde ChemIDplus
4-Methylbenzaldehyde KEGG COMPOUND
4-Tolualdehyde ChemIDplus
4-Toluylaldehyde KEGG COMPOUND
p-Formyltoluene KEGG COMPOUND
p-Methylbenzaldehyde KEGG COMPOUND
p-Tolualdehyde KEGG COMPOUND
p-Toluylaldehyde ChemIDplus
p-Tolylaldehyde NIST Chemistry WebBook
para-Methylbenzaldehyde ChemIDplus
para-Tolualdehyde ChemIDplus
para-Toluyl aldehyde ChemIDplus
Paratolualdehyde NIST Chemistry WebBook
PTAL NIST Chemistry WebBook
Database Links Databases
4-Methylbenzaldehyde Wikipedia
C06758 KEGG COMPOUND
CPD-8773 MetaCyc
HMDB29638 HMDB
View more database links
Registry Numbers Types Sources
104-87-0 CAS Registry Number KEGG COMPOUND
104-87-0 CAS Registry Number NIST Chemistry WebBook
104-87-0 CAS Registry Number ChemIDplus
27123 Gmelin Registry Number Gmelin
385772 Reaxys Registry Number Reaxys
385772 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
17019936 PubMed citation CiteXplore
20016999 PubMed citation CiteXplore
21982394 PubMed citation CiteXplore
Last Modified
28 July 2014