CHEBI:28617 - p-tolualdehyde

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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
Supplier Information ZINC000001529461
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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
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 UniProt
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
C06758 KEGG COMPOUND
CPD-8773 MetaCyc
HMDB0029638 HMDB
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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
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Last Modified
30 May 2024