CHEBI:34039 - 1,2,4-trimethylbenzene

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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. Supplier Information ChemicalBook:CB0854702, eMolecules:510656, ZINC000001692473 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C9H12 Net Charge 0 Average Mass 120.19158 Monoisotopic Mass 120.09390 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. View more via ChEBI Ontology 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 Manual Xrefs Databases 1,2,4-Trimethylbenzene Wikipedia C14533 KEGG COMPOUND HMDB0013733 HMDB PSEUDOCUMENE MetaCyc View more database links Registry Numbers Types Sources 1903005 Reaxys Registry Number Reaxys 95-63-6 CAS Registry Number NIST Chemistry WebBook 95-63-6 CAS Registry Number ChemIDplus Citations Last Modified 23 October 2015