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CHEBI:34039 - 1,2,4-trimethylbenzene

ChEBI IDCHEBI:34039
ChEBI Name1,2,4-trimethylbenzene
Stars
DefinitionA trimethylbenzene carrying methyl groups at positions 1, 2 and 4.
Last Modified23 October 2015
DownloadsMolfile
FormulaC9H12
Net Charge0
Average Mass120.195
Monoisotopic Mass120.09390
SMILESCc1ccc(C)c(C)c1
InChIInChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
InChIKeyGWHJZXXIDMPWGX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
neurotoxin  A poison that interferes with the functions of the nervous system.
ChEBI Ontology
Outgoing Relation(s)
1,2,4-trimethylbenzene (CHEBI:34039) has role neurotoxin (CHEBI:50910)
1,2,4-trimethylbenzene (CHEBI:34039) is a trimethylbenzene (CHEBI:38641)
Incoming Relation(s)
2,3,5-trimethylphenol (CHEBI:38570) has parent hydride 1,2,4-trimethylbenzene (CHEBI:34039)
IUPAC Name 
1,2,4-trimethylbenzene
Synonyms  Source
1,2,4-TrimethylbenzeneKEGG COMPOUND
PseudocumeneKEGG COMPOUND
1,3,4-TrimethylbenzeneChemIDplus
PseudocumolChemIDplus
Psi-cumeneChemIDplus
Uns-trimethylbenzeneChemIDplus
Manual XrefsDatabases
C14533KEGG COMPOUND
PSEUDOCUMENEMetaCyc
1,2,4-TrimethylbenzeneWikipedia
HMDB0013733HMDB
Registry NumbersSources
Reaxys:1903005Reaxys
CAS:95-63-6KEGG COMPOUND
CAS:95-63-6ChemIDplus
CAS:95-63-6NIST Chemistry WebBook
Citations