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Sigma-Aldrich

Toluene

ACS reagent, ≥99.5%

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About This Item

Linear Formula:
C6H5CH3
CAS Number:
Molecular Weight:
92.14
Beilstein:
635760
EC Number:
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
NACRES:
NA.21

grade

ACS reagent

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
≤0.03% water

evapn. residue

≤0.001%

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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Application

Toluene can be used as a solvent:
  • To synthesize azines from alcohols and hydrazine hydrate.
  • In the lipase-catalyzed synthesis of epoxy-functionalized polyesters via polycondensation.

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

39.9 °F - closed cup

Flash Point(C)

4.4 °C - closed cup


Certificates of Analysis (COA)

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Convenient synthesis of symmetrical azines from alcohols and hydrazine catalyzed by ruthenium (II) hydrazone complex in air
Gayathri S, et al.
Inorganica chimica acta, 120957, 537-537 (2022)
Lipase-catalyzed synthesis of an epoxy-functionalized polyester from the suberin monomer cis-9,10-epoxy-18-hydroxyoctadecanoic acid.
Ann Olsson et al.
Biomacromolecules, 8(2), 757-760 (2007-01-25)
Christopher M Filley et al.
Journal of neuropathology and experimental neurology, 63(1), 1-12 (2004-01-30)
In recent decades the organic solvent toluene (methylbenzene) has emerged as one of the best-studied neurotoxins. Long-term and intense exposure to toluene vapors in humans who abuse spray paint and related substances has led to the recognition that toluene has
Murat Yücel et al.
Neuroscience and biobehavioral reviews, 32(5), 910-926 (2008-05-06)
Organic solvent abuse is associated with increased risk for serious medical, neurological, and neuropsychological impairments. While animal research suggests that exposure to organic solvents (especially toluene) may be neurotoxic, much less is known about the consequences of long-term exposure in
Marina Shalaeva et al.
Journal of medicinal chemistry, 56(12), 4870-4879 (2013-05-29)
This study demonstrates that ΔlogP(oct-tol) (difference between logP(octanol) and logP(toluene)) describes compounds propensity to form intramolecular hydrogen bonds (IMHB) and may be considered a privileged molecular descriptor for use in drug discovery and for prediction of IMHB in drug candidates.

Related Content

This page is intended to make it easier to find the consumables you need based on the analytical method you’re using. Methods included on this page come from the EPA, Standard Methods and ASTM.

This page is intended to make it easier to find the consumables you need based on the analytical method you’re using. Methods included on this page come from the EPA, Standard Methods and ASTM.

This page is intended to make it easier to find the consumables you need based on the analytical method you’re using. Methods included on this page come from the EPA, Standard Methods and ASTM.

This page is intended to make it easier to find the consumables you need based on the analytical method you’re using. Methods included on this page come from the EPA, Standard Methods and ASTM.

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