T73601

1,2,4-Trimethylbenzene

98%

• 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

Properties

• 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

Description

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).

Safety Information

• Pictograms: GHS02,GHS08,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H226,H304,H315,H319,H332,H335,H411
• Precautionary Statements: P210 - P273 - P301 + P310 + P331 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338
• 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 Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 118.4 °F - closed cup
• Flash Point(C): 48.0 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves