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T73601

Sigma-Aldrich

1,2,4-Trimethylbenzol

98%

Synonym(e):

Pseudocumol

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About This Item

Lineare Formel:
C6H3(CH3)3
CAS-Nummer:
95-63-6
Molekulargewicht:
120.19
Beilstein:
1903005
EG-Nummer:
202-436-9
MDL-Nummer:
MFCD00008527
UNSPSC-Code:
12352100
eCl@ss:
39011403
PubChem Substanz-ID:
24900445
NACRES:
NA.22

Dampfdichte

4.1 (vs air)

Dampfdruck

4.5 mmHg ( 37.7 °C)

Assay

98%

Selbstzündungstemp.

959 °F

Expl.-Gr.

6.4 %

Brechungsindex

n20/D 1.504 (lit.)

bp

168 °C (lit.)

mp (Schmelzpunkt)

−44 °C (lit.)

Dichte

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

InChIKey

GWHJZXXIDMPWGX-UHFFFAOYSA-N

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Allgemeine Beschreibung

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

Anwendung

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).

Signalwort

Danger

Gefahreneinstufungen

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

Zielorgane

Respiratory system

Lagerklassenschlüssel

3 - Flammable liquids

WGK

WGK 2

Flammpunkt (°F)

118.4 °F - closed cup

Flammpunkt (°C)

48.0 °C - closed cup

Persönliche Schutzausrüstung

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

Analysenzertifikate (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)
Bruno Bühler et al.
Biotechnology and bioengineering, 82(7), 833-842 (2003-04-18)
Oxygenases catalyze, among other interesting reactions, highly selective hydrocarbon oxyfunctionalizations, which are important in industrial organic synthesis but difficult to achieve by chemical means. Many enzymatic oxygenations have been described, but few of these have been scaled up to industrial
Z Zheng et al.
Applied microbiology and biotechnology, 57(4), 572-578 (2002-01-05)
Laboratory batch experiments were performed with contaminated aquifer sediments and four soluble aromatic components of jet fuel to assess their biodegradation under anaerobic conditions. The biodegradation of four aromatic compounds, toluene, o-xylene, 1,2,4-trimethylbenzene (TMB), and naphthalene, separately or together, was
F Solano-Serena et al.
Letters in applied microbiology, 30(1), 19-22 (2000-03-23)
A methodology was devised and was found useful for the selection of populations degrading recalcitrant hydrocarbons. The work was part of a programme aiming at developing knowledge of the intrinsic capacities of autochtonous microflorae of the environment for gasoline biodegradation.
S Gralewicz et al.
Neurotoxicology, 22(1), 79-89 (2001-04-20)
Trimethylbenzene (TMB), like xylene (dimethylbenzene), is a significant constituent of some industrial solvent mixtures. In earlier studies, we found that in the rat a subacute low-level inhalation exposure to some of the TMB isomers may result in behavioral alterations detectable
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