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34866-M

Sigma-Aldrich

Toluene

suitable for HPLC, 99.9%

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About This Item

Linear Formula:
C6H5CH3
CAS Number:
Molecular Weight:
92.14
Beilstein:
635760
EC Number:
MDL number:
UNSPSC Code:
12190000
eCl@ss:
39011102
PubChem Substance ID:
NACRES:
NA.21

vapor density

3.2 (vs air)

vapor pressure

22 mmHg ( 20 °C)
26 mmHg ( 25 °C)

Assay

99.9%

form

liquid

autoignition temp.

997 °F

expl. lim.

7 %

technique(s)

HPLC: suitable

impurities

≤0.0005% non-volatile matter
≤0.0005% thiophene
≤0.001% free acid (as HCl)
≤0.02% water (Karl Fischer)

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.)

UV absorption

λ: 286 nm Amax: ≤1.00
λ: 288 nm Amax: ≤0.50
λ: 293 nm Amax: ≤0.20
λ: 300 nm Amax: ≤0.10
λ: 310 nm Amax: ≤0.05
λ: 335 nm Amax: ≤0.02
λ: 350 nm Amax: ≤0.004

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 benzene analog, is widely employed as an organic solvent. 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 may be used as a doping agent during the quantitative estimation of triacylglycerols (TAGs) by liquid chromatography-atmospheric pressure photoionization-mass spectrometry (LC-APPIMS). It has been reported to improve the sensitivity of analysis. It may be used as solvent for the preparation of 4-arm polylactide-based (PLA) star oligomer.

Other Notes

Important notice
  • The article number 34866-4X2.5L-M will be discontinued. Please order the single bottle 34866-2.5L-M which is physically identical with the same exact specifications.
  • The article number 34866-6X1L-M will be discontinued. Please order the single bottle 34866-1L-M which is physically identical with the same exact specifications.

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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)

39.2 °F - closed cup

Flash Point(C)

4 °C - closed cup


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

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Certificates of Analysis (COA)

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Sheng-Suan Cai et al.
Journal of chromatography. A, 1173(1-2), 88-97 (2007-10-30)
In this work, we evaluate the performance of liquid chromatography-atmospheric pressure photoionization-mass spectrometry (LC-APPI-MS) for non-aqueous reversed phase analysis of six triacylglycerol model compounds using six binary mobile phases including MeOH/iPrOH, MeOH/CHCl(3), MeOH/CH(2)Cl(2), CH(3)CN/iPrOH, CH(3)CN/CHCl(3), and CH(3)CN/CH(2)Cl(2). All mobile phases
T Biegert et al.
European journal of biochemistry, 238(3), 661-668 (1996-06-15)
Toluene is degraded anoxically to CO2 by the denitrifying bacterium Thauera aromatica. Toluene first becomes oxidized to benzoyl-CoA by O2-independent reactions. Benzoyl-CoA is then reduced to non-aromatic products by benzoyl-CoA reductase. We set out to study the reactions employed for

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