CHEBI:34039 - 1,2,4-trimethylbenzene

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ChEBI Name 1,2,4-trimethylbenzene
ChEBI ID CHEBI:34039
Definition A trimethylbenzene carrying methyl groups at positions 1, 2 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H12
Net Charge 0
Average Mass 120.19158
InChI InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
InChIKey GWHJZXXIDMPWGX-UHFFFAOYSA-N
SMILES Cc1ccc(C)c(C)c1
Roles Classification
Biological Role(s): neurotoxin
A poison that interferes with the functions of the nervous system.
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ChEBI Ontology
Outgoing 1,2,4-trimethylbenzene (CHEBI:34039) has role neurotoxin (CHEBI:50910)
1,2,4-trimethylbenzene (CHEBI:34039) is a trimethylbenzene (CHEBI:38641)
Incoming 2,3,5-trimethylphenol (CHEBI:38570) has parent hydride 1,2,4-trimethylbenzene (CHEBI:34039)
IUPAC Name
1,2,4-trimethylbenzene
Synonyms Sources
1,2,4-Trimethylbenzene KEGG COMPOUND
1,3,4-Trimethylbenzene ChemIDplus
as-Trimethylbenzene ChemIDplus
Pseudocumene KEGG COMPOUND
Pseudocumol ChemIDplus
ψ-Cumene NIST Chemistry WebBook
Psi-cumene ChemIDplus
Uns-trimethylbenzene ChemIDplus
Database Links Databases
1,2,4-Trimethylbenzene Wikipedia
C14533 KEGG COMPOUND
HMDB13733 HMDB
PSEUDOCUMENE MetaCyc
View more database links
Registry Numbers Types Sources
1903005 Beilstein Registry Number Beilstein
1903005 Reaxys Registry Number Reaxys
95-63-6 CAS Registry Number NIST Chemistry WebBook
95-63-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12038862 PubMed citation CiteXplore
12705719 PubMed citation CiteXplore
9091763 PubMed citation CiteXplore
9117193 PubMed citation CiteXplore
Last Modified
17 February 2014