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T73601

Sigma-Aldrich

1,2,4-Trimethylbenzene

98%

Sinónimos:

Pseudocumene

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About This Item

Fórmula lineal:
C6H3(CH3)3
Número de CAS:
95-63-6
Peso molecular:
120.19
Beilstein/REAXYS Number:
1903005
EC Number:
202-436-9
MDL number:
MFCD00008527
UNSPSC Code:
12352100
eCl@ss:
39011403
PubChem Substance ID:
24900445
NACRES:
NA.22

vapor density

4.1 (vs air)

vapor pressure

4.5 mmHg ( 37.7 °C)

assay

98%

autoignition temp.

959 °F

expl. lim.

6.4 %

refractive index

n20/D 1.504 (lit.)

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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General description

1,2,4-Trimethylbenzene, also known as Pseudocumene is an alkylated aromatics that is commonly used in the synthesis of polycyclic aromatic hydrocarbons.

Application

1,2,4-Trimethylbenzene can be used as a reactant to synthesize:
  • 2,3,5-Trimethylbenzoquinone via oxidation reaction with phthaloyl peroxide under solvent-free conditions.      
  • 1,2,4,5-Tetramethylbenzene (durene) by methylation using syngas in the presence of Cu and Zn-based bifunctional catalysts.
  •  1,2,4-Oxadiazole derivatives via tandem reaction with nitroalkenes and nitriles in the presence of superacid CF3SO3H (TfOH).

signalword

Danger

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_germany

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

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Synthesis of durene by methylation of 1, 2, 4-trimethylbenzene with syngas over bifunctional CuZnZrO x-HZSM-5 catalysts
Wen D, et al.
Catalysis Science & Technology (2022)
Polycyclic aromatic hydrocarbon formation in a flame of the alkylated aromatic trimethylbenzene compared to those of the alkane dodecane
Tirthankar M, et al.
Combustion and Flame, 223, 495-510 (2021)
Andrei A Golushko et al.
The Journal of organic chemistry, 84(11), 7495-7500 (2019-05-24)
The tandem reaction of nitroalkenes with arenes and nitriles in the superacid CF3SO3H (TfOH) results in the formation of 1,2,4-oxadiazole derivatives in yields up to 96%. This reaction proceeds via the consequent interaction of arenes and nitriles, as nucleophiles, with
An efficient synthesis of 2, 3, 5-trimethylbenzoquinone by metal-free oxidation of 1, 2, 4-trimethylbenzene
Yerramreddy TR, et al.
J. Chem. Res. (M), 43(11-12), 565-568 (2019)
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
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