179418

Sigma-Aldrich

Toluene

ACS reagent, ≥99.5%

Linear Formula:
C6H5CH3
CAS Number:
Molecular Weight:
92.14
Beilstein/REAXYS Number:
635760
EC Number:
MDL number:
eCl@ss:
39011102
PubChem Substance ID:
NACRES:
NA.21

Quality Level

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.)

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 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

500, 6×500 mL in glass bottle
18, 20, 200 L in steel drum
1, 6×1, 2.5, 4×2.5, 4, 4×4 L in glass bottle

Signal Word

Danger

hazcat

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

Target Organs

Central nervous system

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 2

Flash Point(F)

39.2 °F

Flash Point(C)

4.0 °C

Certificate of Analysis

Certificate of Origin

Synthesis and characterization of hydrophobic, organically-soluble gold nanocrystals functionalized with primary amines.
Leff DV, et al.
Langmuir, 12(20), 4723-4730 (1996)
Facile enantioselective synthesis of propargylic alcohols by direct addition of terminal alkynes to aldehydes.
Frantz DE, et al.
Journal of the American Chemical Society, 122(8), 1806-1807 (2000)
Toluene.
von Burg R.
Journal of Applied Toxicology, 13(6), 441-446 (1993)
Electrochemical doping of graphene with toluene.
Kaverzin AA, et al.
Carbon, 49(12), 3829-3834 (2011)
Selective alkylation of toluene with methanol to produce para-xylene.
Kaeding WW, et al.
J. Catal., 67(1), 159-174 (1981)

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