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Merck

89680

Tolueno

analytical standard

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Fórmula lineal:
C6H5CH3
Número CAS:
108-88-3
Peso molecular:
92.14
NACRES:
NA.24
PubChem Substance ID:
329769525
eCl@ss:
39011102
UNSPSC Code:
12191501
EC Number:
203-625-9
MDL number:
MFCD00008512
Beilstein/REAXYS Number:
635760

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grade

analytical standard

Quality Level

100

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 an aromatic hydrocarbon, which can be obtained from crude oil via cracking or distillation process.
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.

Application

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).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

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.

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

Clase de almacenamiento

3 - Flammable liquids

wgk

WGK 3

flash_point_f

39.9 °F - closed cup

flash_point_c

4.4 °C - closed cup

ppe

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

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Certificados de análisis (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)
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