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320552

Sigma-Aldrich

Toluene

ACS reagent, ≥99.5%

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About This Item

Linear Formula:
C6H5CH3
CAS Number:
108-88-3
Molecular Weight:
92.14
Beilstein:
635760
EC Number:
203-625-9
MDL number:
MFCD00008512
UNSPSC Code:
12352002
PubChem Substance ID:
329753986
NACRES:
NA.21

grade

ACS reagent

Quality Level

200

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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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.
Liang Guo et al.
Journal of chromatography. A, 1286, 9-15 (2013-03-19)
For the first time, a novel one-step sample preparation method that combines microwave assisted extraction and solvent bar microextraction (MAE-SBME) with analysis by gas chromatography-mass spectrometry (GC-MS), was developed for the fast and efficient determination of polycyclic aromatic hydrocarbons (PAHs)
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
Perrine Hoet et al.
Critical reviews in toxicology, 38(2), 127-170 (2008-02-09)
Noise is the most common preventable cause of irreversible sensorineural hearing loss. During recent years, the results of experimental and human investigations have raised the level of concern about the potential ototoxicity of chemical agents and their interaction with noise.
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