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Key Documents

89680

Supelco

Toluene

analytical standard

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About This Item

Linear Formula:
C6H5CH3
CAS Number:
Molecular Weight:
92.14
Beilstein:
635760
EC Number:
MDL number:
UNSPSC Code:
12191501
eCl@ss:
39011102
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

3.2 (vs air)

vapor pressure

22 mmHg ( 20 °C)
26 mmHg ( 25 °C)

Assay

≥99.9% (GC)

autoignition temp.

997 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

7 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

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.)

application(s)

environmental

format

neat

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 is a volatile organic compound and a priority environmental contaminant as designated by the US EPA. The effect of toluene on the central nervous system myelin has been studied.
Toluene is an aromatic hydrocarbon, which can be obtained from crude oil via cracking or distillation process.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Toluene may be used as an analytical reference standard for the quantification of the analyte in water samples and engine oils using gas chromatography (GC) with flame ionization detection (FID) and mass spectrometry (MS).

Recommended products

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number

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Nordic Council of Ministers et al.
Effects on Reproduction of Styrene, Toluene and Xylene (1990)
Transformation of toluene and benzene by mixed methanogenic cultures
Grbic-galic and Vogel.MT
Applied and Environmental Microbiology, 53(2), 254-260 (1987)
Tang W and Eisenbrand G et al.
Chinese Drugs of Plant Origin: Chemistry, Pharmacology, and Use in Traditional and Modern Medicine (2013)
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)

Articles

The Utility of Headspace Grade Solvents for the Analysis of Organic Volatile Impurities

Protocols

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Protocol for GC Analysis of Hydrocarbons in Gasoline on Petrocol® DH

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