179418

Toluene

ACS reagent, ≥99.5%

• Linear Formula: C₆H₅CH₃
• CAS Number: 108-88-3
• Molecular Weight: 92.14
• Beilstein/REAXYS Number: 635760
• EC Number: 203-625-9
• MDL number: MFCD00008512
• UNSPSC Code: 12352005
• eCl@ss: 39011102
• PubChem Substance ID: 329751592
• NACRES: NA.21

Properties

• grade: ACS reagent
• Quality Level: 200
• agency: suitable for EPA 1613
• vapor density: 3.2 (vs air)
• vapor pressure: 22 mmHg ( 20 °C); 26 mmHg ( 25 °C)
• assay: ≥99.5%
• form: liquid
• autoignition temp.: 997 °F
• expl. lim.: 7 %
• impurities: H₂SO₄, passes test (darkened); ≤0.003% S compounds; ≤0.030% water
• evapn. residue: ≤0.0010%
• color: APHA: ≤10
• refractive index: n/D 1.496 (lit.)
• bp: 110-111 °C (lit.)
• mp: -93 °C (lit.)
• density: 0.865 g/mL at 25 °C (lit.)
• application(s): microbiology
• SMILES string: Cc1ccccc1
• InChI: 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
• InChI key: YXFVVABEGXRONW-UHFFFAOYSA-N

Description

General description

Toluene, a flammable liquid with a pungent odor, is widely employed as organic solvent. It is widely used as a precursor for synthesizing benzene and as a solvent in the paint industry. It has been reported to be a biotoxic solvent (toxic to many microorganisms at 0.1%v/v concentrations). Its anaerobic biodegradation to CO₂, by the denitrifying bacterium Thauera arornatica has been reported. It forms a syndiotactic polystyrene-toluene molecular compound. Crystal structure of this molecular compound has been investigated by X-ray diffraction studies.

Application

Toluene has been employed as an solvent for the asymmetric synthesis of propargylic alcohols via addition reaction of terminal alkynes with various aldehydes in the presence of an optically active reagent, N-methylephedrine. It may be used in the preparation of amine-capped gold nanocrystals. Toluene undergoes alkylation in the presence of modified ZSM (Zeolite Socony Mobil)-5-class zeolite catalysts to form p-xylene with high selectivity. When doped on graphene, it acts as an electron donor leading to alteration in graphene electrical properties.

Packaging

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Safety Information

• pictograms: GHS02,GHS07,GHS08
• signalword: Danger
• hcodes: H225 - H304 - H315 - H336 - H361d - H373 - H412
• pcodes: P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 39.9 °F
• flash_point_c: 4.4 °C