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82541

1,2,4-Trimethylbenzene

Name: 1,2,4-Trimethylbenzene
Brand: SIAL

puriss., ≥98.5% (GC)

Synonym(s):

Pseudocumene

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About This Item

Linear Formula:

C₆H₃(CH₃)₃

CAS Number:

95-63-6

Molecular Weight:

120.19

EC Number:

202-436-9

UNSPSC Code:

12352100

MDL number:

MFCD00008527

Beilstein/REAXYS Number:

1903005

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vapor density

4.1 (vs air)

vapor pressure

4.5 mmHg ( 37.7 °C)

grade

puriss.

assay

≥98.5% (GC)

autoignition temp.

959 °F

expl. lim.

6.4 %

refractive index

n20/D 1.504 (lit.), n20/D 1.505

bp

168 °C (lit.)

mp

−44 °C (lit.)

density

0.876 g/mL at 20 °C (lit.)

SMILES string

Cc1ccc(C)c(C)c1

InChI

1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

InChI key

GWHJZXXIDMPWGX-UHFFFAOYSA-N

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pictograms

GHS02,GHS08,GHS07,GHS09

signalword

Danger

hcodes

H226,H304,H315,H319,H332,H335,H411

pcodes

P210 - P273 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P312 - P331

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

118.4 °F - closed cup

flash_point_c

48.0 °C - closed cup

ppe

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

Regulatory Information

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Xylene monooxygenase catalyzes the multistep oxygenation of toluene and pseudocumene to corresponding alcohols, aldehydes, and acids in Escherichia coli JM101.

B Bühler et al.

The Journal of biological chemistry, 275(14), 10085-10092 (2000-04-01)

Xylene monooxygenase of Pseudomonas putida mt-2 catalyzes the methylgroup hydroxylation of toluene and xylenes. To investigate the potential of xylene monooxygenase to catalyze multistep oxidations of one methyl group, we tested recombinant Escherichia coli expressing the monooxygenase genes xylM and

Kinetics and mechanism of the reaction of OH with the trimethylbenzenes--experimental evidence for the formation of adduct isomers.

Birger Bohn et al.

Physical chemistry chemical physics : PCCP, 14(40), 13933-13948 (2012-09-13)

The reversible gas-phase addition of OH radicals to the trimethylbenzenes was investigated in pulsed experiments utilizing VUV flash-photolysis resonance-fluorescence of H(2)O in the temperature range of 275-340 K. Triexponential OH decays were observed in the presence of the trimethylbenzenes, indicating

Application of microbial enumeration technique to evaluate the occurrence of natural bioremediation.

C M Kao et al.

Water research, 35(8), 1951-1960 (2001-05-08)

Natural bioremediation is believed to be the major processes that account for both containment of the petroleum-hydrocarbon plume and reduction of the contaminant concentrations. In this study, the feasibility of applying the microbial enumeration technique was assessed for natural biodegradation

In situ biodegradation determined by carbon isotope fractionation of aromatic hydrocarbons in an anaerobic landfill leachate plume (Vejen, Denmark).

Hans H Richnow et al.

Journal of contaminant hydrology, 64(1-2), 59-72 (2003-05-15)

Concentrations and isotopic compositions (13C/12C) of aromatic hydrocarbons were determined in eight samples obtained from the strongly anoxic part of the leachate plume downgradient from the Vejen Landfill (Denmark), where methanogenic, sulfate-reducing and iron-reducing conditions were observed. Despite the heterogeneous

Use of the two-liquid phase concept to exploit kinetically controlled multistep biocatalysis.

Bruno Bühler et al.

Biotechnology and bioengineering, 81(6), 683-694 (2003-01-17)

The two-liquid phase concept was used to develop a whole cell biocatalytic system for the efficient multistep oxidation of pseudocumene to 3,4-dimethylbenzaldehyde. Recombinant Escherichia coli cells were employed to express the Pseudomonas putida genes encoding xylene monooxygenase, which catalyzes the

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Global Trade Item Number

SKU	GTIN
200965-1GM	04055977221565

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