Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:36635 -
p
-toluic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
p
-toluic acid
ChEBI ID
CHEBI:36635
ChEBI ASCII Name
p-toluic acid
Definition
A methylbenzoic acid in which the methyl substituent is located at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20482, CHEBI:9623, CHEBI:47121
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Wikipedia
License
Read full article at Wikipedia
Formulae
C8H8O2
C8H8O2
Net Charge
0
Average Mass
136.14790
Monoisotopic Mass
136.05243
InChI
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
LPNBBFKOUUSUDB-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
p
-toluic acid (
CHEBI:36635
)
is a
methylbenzoic acid (
CHEBI:25280
)
p
-toluic acid (
CHEBI:36635
)
is conjugate acid of
p
-toluate (
CHEBI:28856
)
Incoming
p
-toluate (
CHEBI:28856
)
is conjugate base of
p
-toluic acid (
CHEBI:36635
)
IUPAC Name
4-methylbenzoic acid
Synonyms
Sources
4-Methylbenzoic acid
KEGG COMPOUND
4-Toluic acid
ChemIDplus
Crithminic acid
KEGG COMPOUND
p-Carboxytoluene
ChemIDplus
p-Methylbenzoic acid
ChemIDplus
p-Toluic acid
KEGG COMPOUND
p-Toluylic acid
ChemIDplus
para-Toluic acid
NIST Chemistry WebBook
Toluenecarboxylic acid
KEGG COMPOUND
Manual Xrefs
Databases
4MA
PDBeChem
C01454
KEGG COMPOUND
HMDB0029635
HMDB
P-toluic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
507600
Reaxys Registry Number
Reaxys
507600
Beilstein Registry Number
Beilstein
99-94-5
CAS Registry Number
KEGG COMPOUND
99-94-5
CAS Registry Number
NIST Chemistry WebBook
99-94-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11876420
PubMed citation
Europe PMC
21978560
PubMed citation
Europe PMC
Last Modified
23 October 2015