Toluene
Also known as methylbenzene, toluol, Phenylmethane
Key facts
What buyers check first
What is Toluene?
Plain description, key identifiers and synonyms
Toluene is the simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent. It has a role as a non-polar solvent, a cholinergic antagonist, a neurotoxin and a fuel additive. It is a volatile organic compound, a member of toluenes and a methylbenzene.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- toluene
- CAS number
- 108-88-3 CAS number cross-checkedOther or deprecated CAS: 22904-44-5, 25013-04-1
- EC numbers
- 203-625-9, 946-198-0
- Molecular formula
- C7H8
- UNII
- 3FPU23BG52
- MDL number
- MFCD00008512
- INCI name
- TOLUENE
- InChIKey
- YXFVVABEGXRONW-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
- SMILES (canonical and isomeric)
- CC1=CC=CC=C1
Synonyms
- methylbenzene
- toluol
- Phenylmethane
- methacide
- methylbenzol
- antisal 1a
- Benzene, methyl-
- Toluen
- tolu-sol
- monomethyl benzene
- Methane, phenyl-
- Tolueen
- Toluolo
- phenyl methane
- 1-Methylbenzene
- RCRA waste number U220
- Tolueno
- methyl benzene
- CP 25
- Methyl benzol
- methyl-Benzene
- p-toluene
- 4-methylbenzene
- Benzene, methyl
- UN 1294
Show all 34 synonymsShow fewer synonyms
- Toluene-3,5-d2
- Toluene (Methyl-13C, 99%)
- Toluene, anhydrous
- Toluene, analytical standard
- para-toluene
- Toluene, ACS reagent, >=99.5%
- Toluene 1000 microg/mL in Methanol
- RCRA waste no. U220
- Dracyl
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Colorless liquidexp.Measured value |
|---|---|
| Odour | Sweet, pungent, benzene-like odorexp.Measured value |
| Melting point | -94.9 °Cexp.Measured value |
| Boiling point | 110.6 °Cexp.Measured value |
| Density | 0.8623 g/cm³ at 20 °Cexp.Measured value |
| Flash point | 4 °Cexp.Measured value |
| Autoignition temperature | 480 °Cexp.Measured value |
| Solubility | In water, 526 mg/L at 25 °Cexp.Measured value |
| Vapour pressure | 28.4 mm Hg at 25 °Cexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 92.14 g/molcalc.Computed value |
|---|---|
| Exact mass | 92.0626 Dacalc.Computed value |
| LogP (octanol/water) | 2calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 7calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.14calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H225Highly flammable liquid and vapour.
- H304May be fatal if swallowed and enters airways.
- H315Causes skin irritation.
- H336May cause drowsiness or dizziness.
- H361dSuspected of damaging the unborn child.
- H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (27)
- P203Obtain, read and follow all safety instructions before use.
- P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
- P233Keep container tightly closed.
- P240Ground and bond container and receiving equipment.
- P241Use explosion-proof electrical, ventilating and lighting equipment.
- P242Use non-sparking tools.
- P243Take action to prevent static discharges.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P302 + P352If on skin: Wash with plenty of water.
- P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P331Do not induce vomiting.
- P332 + P317If skin irritation occurs: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P370 + P378In case of fire: Use appropriate media to extinguish.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P403 + P235Store in a well-ventilated place. Keep cool.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 1294
- Transport hazard class
- 3
- Packing group
- II
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidToluene suppliers
Controlled substance, listings of documented suppliers only, in the documented ranking
Toluene is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Reference: UN Convention against Illicit Traffic 1988 Table II, India NDPS controlled substance, HS 2022 subheading 2902.30 (toluene)
Our policy on controlled substancesLicensed buyers can post a request for Toluene with their licence. Our compliance team reviews it before suppliers see it.
Toluene price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Toluene is a component of gasoline, paints, inks, lacquers, paint thinners, adhesives, fingernail polish, cleaning agents, and rubber. BTX (a mixture of benzene, toluene, and xylene) is added to gasoline to improve octane ratings. Toluene is used to produce benzene, trinitrotoluene (TNT), nylon, plastics, and polyurethanes.
Aviation gasoline and high-octane blending stock, benzene, phenol, and caprolactam, solvent for paints and coatings, gums, resins, most oils, rubber, vinyl organosols, diluent and thinner in nitrocellulose lacquers, adhesive solvent in plastic toys and model airplanes, chemicals (benzoic acid, benzyl and benzoyl derivatives, saccharin, medicines, dyes, perfumes), source of toluenediisocyanates (polyurethane resins), explosives (TNT), toluene sulfonates (detergents), scintillation counters.
In manufacture benzoic acid, benzaldehyde, explosives, dyes, and many other org
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anic compounds, as a solvent for paints, lacquers, gums, resins, thinner for inks, perfumes, dyes, in the extraction of various principles from plants, as gasoline additive.
The major use of toluene is as a mixture added to gasoline to improve octane ratings. Toluene is also used to produce benzene and as a solvent in paints, coatings, synthetic fragrances, adhesives, inks, and cleaning agents.
Industrial uses: Diluent, Waterproofing agent, Catalyst, Reducing agent, Sealant (barrier), Plasticizer, Laboratory chemicals.
Consumer uses: Adhesion/cohesion promoter, Intermediate, Sealant (barrier), Catalyst, Corrosion inhibitor, Plasticizer, Fuel agents.
Use classes: Hydrocarbons, Volatile organic compounds, Solvents, Cosmetics, Animal Drugs.
Industries and functions
Cosmetic ingredient, INCI name TOLUENE(antioxidant, solvent)
Pharmacological actions
- Solvents
Roles
- additive
- aetiopathogenetic role
- cholinergic antagonist
- cholinergic drug
- fuel additive
- neurotoxin
- neurotransmitter agent
- non-polar solvent
- pharmaceutical
- poison
- solvent
Functional uses
- Adhesion/cohesion promoter
- Antioxidant
- Chemical reaction regulator
- Cleaning agent
- Fragrance
- Propellants, non-motive (blowing agents)
- Solubility enhancer
- Solvent
Cosmetic functions
- Antioxidant
- Solvent
Pharmacology
Toluene is an aromatic hydrocarbon composed of a benzene ring linked to one methyl group. Toluene is used a solvent or as a chemical intermediate in various industrial applications. Rapid inhalation of high concentrations of toluene can cause severe neurological complications.
How it is made
It is possible to synthesize toluene industrially by alkylation of benzene with methanol, and by cyclization of n-heptane with subsequent aromatization. However, for economic reasons toluene is extracted from ... reformates from crude petroleum distillates, liquid products from the pyrolysis of hydrocarbons (steam cracking) (and) liquid products from the gasification or coking (pyrolysis) of coal, lignite, etc. ...
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An important aspect of the extraction of toluene is the fact that the pyrolysis products (from steam cracking, coking, etc.) must be hydrogenated before pure toluene can be extracted. The unsaturated components are converted to saturated ones and the heteroatoms such as sulfur, nitrogen, and oxygen are removed. In the case of reformates such pretreatment is usually unnecessary. For the separation of toluene from other components within the same boiling range several methods are available, depending on quality requirements. Fine fractionation is now suitable only for the production of toluene with lower purity, and involves significant losses in fores and tails. Azeotropic distillation uses entrainers, such as methanol, to separate toluene from nonaromatics, a nonaromatics - methanol fraction with a lower bp than the methanol - toluene azeotrope distills at the column head, while pure toluene is removed from its base. Methanol is recovered from the distillate by washing with water.
Regulatory status
Inventories, regulations and trade controls that list this substance
Toluene is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Reference: UN Convention against Illicit Traffic 1988 Table II, India NDPS controlled substance, HS 2022 subheading 2902.30 (toluene)
Our policy on controlled substancesEurope
- EU harmonised classification (CLP Annex VI)Index no: 601-021-00-3
Health and food
- EU cosmetic ingredient inventory
- EU Cosmetics Regulation Annex III, restricted in cosmeticsName: TOLUENE, Ref no: 185, Annex ref: III/185
Controls
- US DEA controlled substance or listed chemical
- Drug precursor (UN 1988 Convention)
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Toluene is traded under.
Cyclic hydrocarbons: toluene
- South Korea22.3%
- China19.7%
- Japan11.9%
- United States19.1%
- India * partner reported15.2%
- South Korea15.1%
* Partner reported figures, a lower bound.
The HS code shown for Toluene is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Toluene, based on the data on this page
What is Toluene?
What is the CAS number of Toluene?
What is the molecular formula and weight of Toluene?
What is Toluene used for?
Is Toluene hazardous?
What is the HS code of Toluene?
Can I buy Toluene on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Toluene
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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