CHEBI:28617 - p-tolualdehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name p-tolualdehyde
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
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C8H8O
Net Charge 0
Average Mass 120.14850
Monoisotopic Mass 120.05751
InChI InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing p-tolualdehyde (CHEBI:28617) has role plant metabolite (CHEBI:76924)
p-tolualdehyde (CHEBI:28617) is a tolualdehyde (CHEBI:27020)
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
Manual Xrefs Databases
4-Methylbenzaldehyde Wikipedia
CPD-8773 MetaCyc
HMDB0029638 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 Europe PMC
20016999 PubMed citation Europe PMC
21982394 PubMed citation Europe PMC
Last Modified
23 October 2015