toluene (CHEBI:17578)

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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

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Formula

C7H8

Net Charge

Average Mass

92.13842

Monoisotopic Mass

92.06260

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.

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) toluene (CHEBI:17578) is a volatile organic compound (CHEBI:134179)

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 thiol (CHEBI:137674) has parent hydride toluene (CHEBI:17578) thiobenzaldehyde (CHEBI:137675) has parent hydride toluene (CHEBI:17578) benzyl group (CHEBI:22744) is substituent group from toluene (CHEBI:17578)

IUPAC Name

toluene

Last Modified

05 September 2017