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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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
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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.
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
)
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
Manual Xrefs
Databases
4-Methylbenzaldehyde
Wikipedia
C06758
KEGG COMPOUND
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
Types
Sources
17019936
PubMed citation
Europe PMC
20016999
PubMed citation
Europe PMC
21982394
PubMed citation
Europe PMC
Last Modified
23 October 2015