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CHEBI:64830 - 2,4,6-trimethylbenzoic acid

ChEBI IDCHEBI:64830
ChEBI Name2,4,6-trimethylbenzoic acid
Stars
DefinitionA trimethylbenzoic acid in which the three methyl substituents are located at positions 2, 4 and 6.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC10H12O2
Net Charge0
Average Mass164.204
Monoisotopic Mass164.08373
SMILESCc1cc(C)c(C(=O)O)c(C)c1
InChIInChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKeyFFFIRKXTFQCCKJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,4,6-trimethylbenzoic acid (CHEBI:64830) has functional parent benzoic acid (CHEBI:30746)
2,4,6-trimethylbenzoic acid (CHEBI:64830) is a trimethylbenzoic acid (CHEBI:64829)
2,4,6-trimethylbenzoic acid (CHEBI:64830) is conjugate acid of 2,4,6-trimethylbenzoate (CHEBI:64832)
Incoming Relation(s)
2,4,6-trimethylbenzoate (CHEBI:64832) is conjugate base of 2,4,6-trimethylbenzoic acid (CHEBI:64830)
IUPAC Name 
2,4,6-trimethylbenzoic acid
Synonyms  Source
Mesitylenecarboxylic acidChemIDplus
β-Isodurylic acidChemIDplus
Mesitoic acidChemIDplus
Registry NumbersSources
Reaxys:1866187Reaxys
CAS:480-63-7ChemIDplus
CAS:480-63-7NIST Chemistry WebBook