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179418 Sigma-Aldrich

Toluene

ACS reagent, ≥99.5%

  • CAS Number 108-88-3

  • Linear Formula C6H5CH3

  • Molecular Weight 92.14

  •  Beilstein/REAXYS Number 635760

  •  EC Number 203-625-9

  •  MDL number MFCD00008512

  •  eCl@ss 39011102

  •  PubChem Substance ID 329751592

  •  NACRES NA.21

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Properties

Related Categories ACS Grade, ACS Grade Solvents, ACS and Reagent Grade Solvents, Amber Glass Bottles, Carbon Steel Cans with NPT Threads,
Quality Level   200
grade   ACS reagent
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 %
application(s)   microbiology: suitable
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.)
storage temp.   room temp
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

1, 6×1, 2.5, 4×2.5, 4, 4×4 L in glass bottle

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18, 20, 200 L in steel drum

500, 6×500 mL in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Target organs 
Central nervous system
RIDADR 
UN1294 - class 3 - PG 2 - Toluene
WGK Germany 
WGK 2
RTECS 
XS5250000
Flash Point(F) 
39.2 °F
Flash Point(C) 
4.0 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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