648566

Toluene

suitable for HPLC, ≥99.9%

• 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: 12190000
• PubChem Substance ID: 329760008

Properties

• vapor density: 3.2 (vs air)
• Quality Level: 100
• vapor pressure: 22 mmHg ( 20 °C); 26 mmHg ( 25 °C)
• assay: ≥99.9%
• form: liquid
• autoignition temp.: 997 °F
• expl. lim.: 7 %
• technique(s): HPLC: suitable
• impurities: ≤0.02% water
• evapn. residue: ≤0.0005%
• color: colorless
• 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.)
• UV absorption: λ: 290 nm A_max: 0.30; λ: 310 nm A_max: 0.05; λ: 350 nm A_max: 0.004
• 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 benzene analog, is widely employed as an organic solvent. 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 syndiotactic polystyrene-toluene molecular compound. Crystal structure of this molecular compound has been investigated by X-ray diffraction studies.

Application

Toluene may be used in the following studies:

• As a doping agent during the quantitative estimation of triacylglycerols (TAGs) by liquid chromatography-atmospheric pressure photoionization-mass spectrometry (LC-APPIMS). It has been reported to improve the sensitivity of analysis.
• For the decontamination of microbial cultures and lyse bacterial cells in bacterial enzyme assays.
• As a solvent for the preparation of 4-arm polylactide-based (PLA) star oligomer.

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Safety Information

• pictograms: GHS02,GHS08,GHS07
• 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 - closed cup
• flash_point_c: 4.4 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter