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648566

Sigma-Aldrich

Toluene

suitable for HPLC, ≥99.9%

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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:
12190000
PubChem Substance ID:
329760008

vapor density

3.2 (vs air)

Quality Level

100

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

≤0.02% water

evapn. residue

≤0.0005%

color

colorless

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: 290 nm Amax: 0.30
λ: 310 nm Amax: 0.05
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 syndiotactic polystyrene-toluene molecular compound. Crystal structure of this molecular compound has been investigated by X-ray diffraction studies.

Application

Toluene may be used in the following studies:
  • 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.
  • For the decontamination of microbial cultures and lyse bacterial cells in bacterial enzyme assays.
  • As a solvent for the preparation of 4-arm polylactide-based (PLA) star oligomer.

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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)

39.9 °F - closed cup

Flash Point(C)

4.4 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

648566-VAR:
648566-4X4L:4548173176635
648566-4L:
648566-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR6312
MKCS1867
MKCR4818
MKCM0703
MKCD5547

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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
Structural study on syndiotactic polystyrene: 2. Crystal structure of molecular compound with toluene.
Chatani Y, et al.
Polymer, 34(8), 1620-1620 (1993)
A Pseudomonas thrives in high concentrations of toluene.
Inoue A and Horikoshi K.
Nature, 338, 264-266 (1989)
V Melissinaki et al.
Biofabrication, 3(4), 045005-045005 (2011-09-21)
This study reports on the production of high-resolution 3D structures of polylactide-based materials via multi-photon polymerization and explores their use as neural tissue engineering scaffolds. To achieve this, a liquid polylactide resin was synthesized in house and rendered photocurable via
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