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Sigma-Aldrich

Toluene

suitable for HPLC, ≥99.9%

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Linear Formula:
C6H5CH3
CAS Number:
Molecular Weight:
92.14
Beilstein/REAXYS Number:
635760
EC Number:
MDL number:
PubChem Substance ID:

vapor density

3.2 (vs air)

Quality Level

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 Amax: 0.30
λ: 310 nm Amax: 0.05
λ: 350 nm Amax: 0.004

SMILES string

Cc1ccccc1

InChI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

InChI key

YXFVVABEGXRONW-UHFFFAOYSA-N

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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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signalword

Danger

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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