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T73601

Sigma-Aldrich

1,2,4-Trimethylbenzene

98%

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Synonym(s):
Pseudocumene
Linear Formula:
C6H3(CH3)3
CAS Number:
95-63-6
Molecular Weight:
120.19
Beilstein:
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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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).

Signal Word

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

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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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)
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)
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
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
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
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