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CHEBI:17578 - toluene

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ChEBI Name toluene
ChEBI ID CHEBI:17578
Definition The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:44023, CHEBI:9624, CHEBI:15248, CHEBI:27022
Supplier Information
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Formula C7H8
Net Charge 0
Average Mass 92.13842
Monoisotopic Mass 92.063
InChI InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YXFVVABEGXRONW-UHFFFAOYSA-N
SMILES Cc1ccccc1
Roles Classification
Chemical Role(s): non-polar solvent

fuel additive
Any additive that enhances the efficiency of fuel.
Biological Role(s): cholinergic antagonist
Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
neurotoxin
A poison that interferes with the functions of the nervous system.
Application(s): non-polar solvent

cholinergic antagonist
Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing toluene (CHEBI:17578) has role cholinergic antagonist (CHEBI:48873)
toluene (CHEBI:17578) has role fuel additive (CHEBI:62803)
toluene (CHEBI:17578) has role neurotoxin (CHEBI:50910)
toluene (CHEBI:17578) has role non-polar solvent (CHEBI:48355)
toluene (CHEBI:17578) is a methylbenzene (CHEBI:38975)
toluene (CHEBI:17578) is a toluenes (CHEBI:27024)
Incoming 2,6-diaminotoluene (CHEBI:76288) has parent hydride toluene (CHEBI:17578)
2-methyl-1,4-phenylenediamine (CHEBI:53619) has parent hydride toluene (CHEBI:17578)
benzyl group (CHEBI:22744) is substituent group from toluene (CHEBI:17578)
IUPAC Name
toluene
Synonyms Sources
methylbenzene PDBeChem
phenylmethane ChemIDplus
Toluen NIST Chemistry WebBook
Toluene KEGG COMPOUND
TOLUENE PDBeChem
toluene UniProt
toluène ChEBI
Toluol NIST Chemistry WebBook
Database Links Databases
c0114 UM-BBD
C01455 KEGG COMPOUND
DB01900 DrugBank
MBN PDBeChem
Toluene Wikipedia
View more database links
Registry Numbers Types Sources
108-88-3 CAS Registry Number KEGG COMPOUND
108-88-3 CAS Registry Number ChemIDplus
108-88-3 CAS Registry Number NIST Chemistry WebBook
2456 Gmelin Registry Number Gmelin
635760 Beilstein Registry Number Beilstein
635760 Reaxys Registry Number Reaxys
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Last Modified
23 October 2015