C6H5CH3

C6H5CH3 is the chemical formula for toluene, also known as methylbenzene. It is an aromatic hydrocarbon consisting of a benzene ring with a single methyl substituent. Its standard identifiers include the formula C7H8, the SMILES string Cc1ccccc1, and the CAS number 108-88-3. Toluene is colorless and volatile, with a characteristic sweet odor.

In terms of physical properties, toluene has a boiling point of 110.6°C and a melting point around −95°C. Its density is about 0.867 g/mL at 20°C. It is highly flammable and relatively insoluble in water, with limited miscibility in many organic solvents. The vapor is heavier than air and can form explosive mixtures in confined spaces. Toluene is a VOC and a common environmental contaminant.

Occurrence and production: toluene occurs naturally in crude oil and coal tar and is a significant component of many petroleum streams. It is manufactured industrially for use as a solvent and chemical feedstock, often obtained from refining processes and from BTX (benzene–toluene–xylene) streams.

Uses and applications: widely used as an industrial solvent for paints, coatings, inks, adhesives, and rubber; it serves as a chemical feedstock for the production of benzyl chloride, benzoic acid, and various other aromatic compounds. It is also used as an octane booster in gasoline.

Safety and regulation: toluene is flammable and toxic if inhaled or absorbed in significant amounts. Acute exposure can affect the central nervous system, causing dizziness or drowsiness; long-term exposure may impact health of the liver and kidneys. It is not generally classified as a human carcinogen by major authorities. Proper handling, ventilation, and storage in designated containers reduce risk.