Toluene (CED0000050)

Record Information

Version

1.0

Creation Date

2009-03-06 18:58:01 UTC

Update Date

2026-05-14 19:10:31 UTC

Accession Number

CHEM000067

Identification

Common Name

Toluene

Class

Small Molecule

Description

Toluene belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. It is an exogenous liquid with the formula C7H8 and an average molecular weight of 92.14 g/mol. This aromatic hydrocarbon is classified as a benzenoid and is used as an industrial solvent (PMC11124930), a non-polar solvent, an antioxidant, a fuel additive, and a cleaning agent. Other industrial applications include its use as a chemical reaction regulator, a solubility enhancer, an adhesion/cohesion promoter, and as non-motive propellants acting as blowing agents. Biologically, it is characterized as a volatile organic compound (PMC6630219), a neurotoxin, and a cholinergic antagonist. Toluene is found in or released from 62 recorded sources, including drinking water, food processing, household cleaning products, building and construction materials, and electrical and electronic equipment. It is used in polyurethane, high-density polyethylene, and low-density polyethylene; it is present in acrylonitrile butadiene styrene and high impact polystyrene, and is released in plastics such as polystyrene, polyvinyl chloride, and polycarbonate. Recorded exposure routes include touch, oral, inhalation (PMC3020673), and smoking (PMC12228674). Toluene targets various proteins, including acetylcholinesterase and sodium channel regulatory subunits beta-1, beta-2, beta-3, and beta-4. It binds to cardiac Na+ channels in the open state, which may contribute to an arrhythmogenic effect. It also causes neurotoxic effects by inhibiting GABA(A) receptors, NMDA receptors, and acetylcholine receptors. Health effects associated with toluene include inflammation (PMC12681231), drowsiness (PMC3020673), dizziness (PMC3020673), and an increase in asthma (PMC11671006, PMC12337040, PMC7722407, PMC8215519, PMC9697938, PMC9986591). It is linked to esophageal cancer (PMC2679013), liver cancer (PMC3496877), lung cancer (PMC12989267, PMC13043307, PMC7464039), and cancer generally (PMC11869803, PMC12388048, PMC5435304, PMC8869180), and it serves as a biomarker for cancer (PMC7464039) and lung cancer (PMC9170864).

Contaminant Type

Aromatic Hydrocarbon
Cosmetic Toxin
Food Toxin
Household Toxin
Human Neurotoxin
Industrial Precursor/Intermediate
Industrial/Workplace Toxin
Metabolite
Natural Compound
Organic Compound
Pollutant
Solvent

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Methylbenzene	ChEBI
Phenylmethane	ChEBI
Toluen	ChEBI
Toluol	ChEBI
Methyl-benzene	HMDB
Methylbenzene, 9ci	HMDB
Methylbenzol	HMDB
Monomethyl benzene	HMDB
Phenyl-methane	HMDB

Chemical Formula

C₇H₈

Average Molecular Mass

92.138 g/mol

Monoisotopic Mass

92.063 g/mol

CAS Registry Number

108-88-3

IUPAC Name

toluene

Traditional Name

toluene

SMILES

CC1=CC=CC=C1

InChI Identifier

InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

InChI Key

YXFVVABEGXRONW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Toluenes

Direct Parent

Toluenes

Alternative Parents

Substituents

Toluene
Aromatic hydrocarbon
Unsaturated hydrocarbon
Hydrocarbon
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

toluenes (CHEBI:17578 )
methylbenzene (CHEBI:17578 )
an aromatic compound (TOLUENE )

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Biological Roles

Chemical Roles

Organoleptic Effects

Not Available

Physical Properties

State

Liquid

Appearance

Colorless liquid.

Experimental Properties

Property	Value
Melting Point	-95°C
Boiling Point	110.6°C (231.1°F)
Solubility	0.526 mg/mL at 25°C

Predicted Properties

Property	Value	Source
Water Solubility	0.51 g/L	ALOGPS
logP	2.56	ALOGPS
logP	2.49	ChemAxon
logS	-2.3	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	31.1 m³·mol⁻¹	ChemAxon
Polarizability	10.97 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-0006-9000000000-21366c9a473a72238c27	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0006-9000000000-52239a45c9c9b566eb6b	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0006-9000000000-9484aa3a95c9d0168f91	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0006-9200000000-40a95d60297275bbf5b7	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0006-9000000000-21366c9a473a72238c27	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0006-9000000000-52239a45c9c9b566eb6b	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0006-9000000000-9484aa3a95c9d0168f91	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0006-9200000000-40a95d60297275bbf5b7	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0006-9000000000-4e58dd253dfd47768489	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-1f40b8989b6d02b683a7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-55a3cd8f1a8934fefca2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kf-9000000000-32369d8d8789022995d6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-ac6c69ea19d94fcc4bef	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-ac6c69ea19d94fcc4bef	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-65b85e7431f79c0337cf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-6c595507c6d341fba2bb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-874dba65aad314ac5cbd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-016r-9000000000-38f2d3fc1e4ca15d775c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-5671d4c535a6553aaf0d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-5671d4c535a6553aaf0d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-d6e15df8624d98b1dd9c	Not Available	View Spectrum
MS	MS Spectrum	splash10-0006-9000000000-93f195a62ea6129f7e07	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, H₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, H₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Toluene is a cholinesterase or acetylcholinesterase (AChE) inhibitor. A cholinesterase inhibitor (or 'anticholinesterase') suppresses the action of acetylcholinesterase. Because of its essential function, chemicals that interfere with the action of acetylcholinesterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses, followed by muscle spasms and ultimately death. Nerve gases and many substances used in insecticides have been shown to act by binding a serine in the active site of acetylcholine esterase, inhibiting the enzyme completely. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop. Among the most common acetylcholinesterase inhibitors are phosphorus-based compounds, which are designed to bind to the active site of the enzyme. The structural requirements are a phosphorus atom bearing two lipophilic groups, a leaving group (such as a halide or thiocyanate), and a terminal oxygen.

Carcinogenicity (IARC Classification)

3, not classifiable as to its carcinogenicity to humans. (9)

Minimum Risk Level

Acute Inhalation: 1 ppm (8) Chronic Inhalation: 0.08 ppm (8) Acute Oral: 0.8 mg/kg/day (8) Intermediate Oral: 0.02 mg/kg/day (8)

Symptoms

The central nervous system is the primary target organ of toluene and other alkylbenzenes. Manifestations of exposure range from slight dizziness and headache to unconciousness, respiratory depression and death. Other symptoms include tiredness, confusion, weakness, memory loss, nausea, loss of appetite, and hearing and color vision loss. These symptoms usually disappear when exposure is stopped. (11, 10)

Treatment

If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
5000.0	mg/kg	Not Available	Rat	LD50	Oral	experimental	T14
1332.0	mg/kg	Not Available	Rat	LD50	Intraperitoneal	experimental	T14
1960.0	mg/kg	Not Available	Rat	LD50	Intravenous	experimental	T14
2250.0	mg/kg	Not Available	Mouse	LD50	Subcutaneous	experimental	T14
12124.0	mg/kg	Not Available	Rabbit	LD50	Dermal	experimental	T14
400.0	ppm	Not Available	Mouse	LC50	Inhalation (24 hours)	experimental	T14

Health Effects

Health Effect	Relationship	Direction	Reference
lung cancer	associated_with	increase	PMC12989267 , PMC13043307 , PMC7464039
lung cancer	is_biomarker_of	Not Available	PMC9170864
inflammation	associated_with	increase	PMC12681231
cancer	associated_with	Not Available	PMC11869803 , PMC12388048 , PMC5435304 , PMC8869180
cancer	is_biomarker_of	Not Available	PMC7464039
drowsiness	associated_with	decrease	PMC3020673
dizziness	associated_with	decrease	PMC3020673
asthma	associated_with	increase	PMC11671006 , PMC12337040 , PMC7722407 , PMC8215519 , PMC9697938 , PMC9986591
liver cancer	associated_with	Not Available	PMC3496877
esophageal cancer	associated_with	Not Available	PMC2679013
myelodysplastic syndrome	associated_with	Not Available	PMC12377019

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
19	Indoor air	Air, dust & atmospheric transport	Not Available
115	Drinking water	Drinking water & water supply	Not Available
233	Brushes	Personal care & cosmetics	Not Available
490		Personal care & cosmetics	Not Available
494	Food contact materials	Food, food processing & cookware	Not Available
495	Ceilings	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
498	Ladders	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
501	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
502	Sunshades Awnings Or Outside Screens	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
512	Contacts	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
515	Discharge Tubes With Liquid Pool Cathodes	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
526	Loudspeakers	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
534	Still Video Cameras	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
572	Credit Card Holders	Household items	Not Available
577	Watch Chains	Household items	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
583	Anchoring Equipment	Marine, shipping & aquaculture	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
585	Canoes And Kayaks	Marine, shipping & aquaculture	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
591	Lifeboats	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
620	Card Games	Recreation & sports surfaces	Not Available
630	Toys	Recreation & sports surfaces	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
633	Azo Dyes	Textiles, leather & furnishings	Not Available
634	Buckles	Textiles, leather & furnishings	Not Available
635	Buttons	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
639	Degreasing Leather	Textiles, leather & furnishings	Not Available
640	Embroidering And Tufting	Textiles, leather & furnishings	Not Available
641	Foam Dyeing	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
647	Multicolour Dyeing	Textiles, leather & furnishings	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
651	Purses Money Bags Wallets	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
661	Umbrellas	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available
663	Sanitary Equipment	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	143.71
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	113.115
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	104.007
Click to view 3D structure	Cytochrome P450 2A6	P11509	Humans	Predicted (SEA)	3.97031
Click to view 3D structure	Cytochrome P450 2A5	P20852	Mus musculus	Predicted (SEA)	0.622794
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P51647	Rattus norvegicus	Predicted (SEA)	0.389246
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	92.3292
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	139.117
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	259.549
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	27.3251
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	20.2408
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	33.2416
Click to view 3D structure	Regulator of G-protein signaling 8	P57771	Humans	Predicted (SEA)	2.80257
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	69.7529
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	15.1806
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	810.177
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	268.268
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	131.176
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	884.601
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	1333.09
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	1981.34
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	762.767
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	491.073
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	242.5
Click to view 3D structure	Metabotropic glutamate receptor 5	P31424	Rattus norvegicus	Predicted (SEA)	73.5675
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Known	Not Available
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-1	P14867	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-2	P47869	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-3	P34903	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-4	P48169	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-5	P31644	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-6	Q16445	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-1	P18505	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-2	P47870	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit beta-3	P28472	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit delta	O14764	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit epsilon	P78334	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit gamma-1	Q8N1C3	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit gamma-2	P18507	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit gamma-3	Q99928	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit pi	O00591	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit rho-1	P24046	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit rho-2	P28476	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit rho-3	A8MPY1	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit theta	Q9UN88	Humans	Known	Toluene inhibits GABA(A) receptors, causing neurotoxic effects. (A121)
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 1	Q05586	Humans	Known	Toluene inhibits NMDA receptors, causing neurotoxic effects. (A122)
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2A	Q12879	Humans	Known	Toluene inhibits NMDA receptors, causing neurotoxic effects. (A122)
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2B	Q13224	Humans	Known	Toluene inhibits NMDA receptors, causing neurotoxic effects. (A122)
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2C	Q14957	Humans	Known	Toluene inhibits NMDA receptors, causing neurotoxic effects. (A122)
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2D	O15399	Humans	Known	Toluene inhibits NMDA receptors, causing neurotoxic effects. (A122)
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 3A	Q8TCU5	Humans	Known	Toluene inhibits NMDA receptors, causing neurotoxic effects. (A122)
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 3B	O60391	Humans	Known	Toluene inhibits NMDA receptors, causing neurotoxic effects. (A122)
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-2	Q15822	Humans	Known	Toluene inhibits acetylcholine receptors, causing neurotoxic effects. (A123)
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-4	P43681	Humans	Known	Toluene inhibits acetylcholine receptors, causing neurotoxic effects. (A123)
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-5	P30532	Humans	Known	Toluene inhibits acetylcholine receptors, causing neurotoxic effects. (A123)
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Known	Toluene inhibits acetylcholine receptors, causing neurotoxic effects. (A123)
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-9	Q9UGM1	Humans	Known	Toluene inhibits acetylcholine receptors, causing neurotoxic effects. (A123)
Click to view 3D structure	Neuronal acetylcholine receptor subunit beta-2	P17787	Humans	Known	Toluene inhibits acetylcholine receptors, causing neurotoxic effects. (A123)
Click to view 3D structure	Neuronal acetylcholine receptor subunit beta-4	P30926	Humans	Known	Toluene inhibits acetylcholine receptors, causing neurotoxic effects. (A123)
Click to view 3D structure	Sodium channel protein type 5 subunit alpha	Q14524	Humans	Known	Toluene binds to cardiac Na+ channels in the open state and unbinds either when channels move between inactivated states or from an inactivated to a closed state. The use- and frequency-dependent block of Na+ by toluene might be responsible, at least in part, for its arrhythmogenic effect. (A64)
Click to view 3D structure	Sodium channel regulatory subunit beta-1	Q07699	Humans	Known	Toluene binds to cardiac Na+ channels in the open state and unbinds either when channels move between inactivated states or from an inactivated to a closed state. The use- and frequency-dependent block of Na+ by toluene might be responsible, at least in part, for its arrhythmogenic effect. (A64)
Click to view 3D structure	Sodium channel regulatory subunit beta-2	O60939	Humans	Known	Toluene binds to cardiac Na+ channels in the open state and unbinds either when channels move between inactivated states or from an inactivated to a closed state. The use- and frequency-dependent block of Na+ by toluene might be responsible, at least in part, for its arrhythmogenic effect. (A64)
Click to view 3D structure	Sodium channel regulatory subunit beta-3	Q9NY72	Humans	Known	Toluene binds to cardiac Na+ channels in the open state and unbinds either when channels move between inactivated states or from an inactivated to a closed state. The use- and frequency-dependent block of Na+ by toluene might be responsible, at least in part, for its arrhythmogenic effect. (A64)
Click to view 3D structure	Sodium channel regulatory subunit beta-4	Q8IWT1	Humans	Known	Toluene binds to cardiac Na+ channels in the open state and unbinds either when channels move between inactivated states or from an inactivated to a closed state. The use- and frequency-dependent block of Na+ by toluene might be responsible, at least in part, for its arrhythmogenic effect. (A64)

Concentrations

Not Available

External Links

DrugBank ID

DB11558

HMDB ID

HMDB0034168

FooDB ID

FDB012454

Phenol Explorer ID

Not Available

KNApSAcK ID

C00051588

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

ECMDB ID

References

Synthesis Reference

Gregoire Kalopissis, Andree Bugaut, “2-Carbamylmethyl-or (diethylcarbamyl)methyl-amino-4-hydroxy toluene and process for preparing the same.” U.S. Patent US4101576, issued August, 1905.

MSDS

Link

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=11182169

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=11314682

3. https://www.ncbi.nlm.nih.gov/pubmed/?term=11846266

4. https://www.ncbi.nlm.nih.gov/pubmed/?term=11991009

5. https://www.ncbi.nlm.nih.gov/pubmed/?term=12062755

6. https://www.ncbi.nlm.nih.gov/pubmed/?term=12213539

7. https://www.ncbi.nlm.nih.gov/pubmed/?term=12237258

8. https://www.ncbi.nlm.nih.gov/pubmed/?term=12784113

9. https://www.ncbi.nlm.nih.gov/pubmed/?term=12876426