Pseudocumene

1,2,4-Trimethylbenzene

Names

IUPAC name

1,2,4-Trimethylbenzene

Other names

Pseudocumene,
Asymmetrical trimethylbenzene,
psi-cumene

Identifiers

CAS Number

95-63-6^Y

3D model (Jmol)

Interactive image

ChEBI

CHEBI:34039^Y

ChemSpider

6977^Y

ECHA InfoCard

100.002.216

KEGG

C14533^Y

InChI

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

Key: GWHJZXXIDMPWGX-UHFFFAOYSA-N^Y
InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

Key: GWHJZXXIDMPWGX-UHFFFAOYAF

SMILES

c1c(ccc(c1C)C)C

Properties

Chemical formula

C₉H₁₂

Molar mass

120.19 g/mol

Appearance

Colorless liquid

Density

0.8761 g/cm³

Melting point

−43.78 °C (−46.80 °F; 229.37 K)

Boiling point

169 to 171 °C (336 to 340 °F; 442 to 444 K)

Magnetic susceptibility (χ)

-101.6·10⁻⁶ cm³/mol

Hazards

Safety data sheet

Sigma-Aldrich MSDS

EU classification (DSD)

Harmful (Xn); Dangerous for the environment (N)

Flash point

44.4 °C (111.9 °F; 317.5 K)

Explosive limits

0.9%–6.4%

US health exposure limits (NIOSH):

PEL (Permissible)

none

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

(what is ^YN ?)

Infobox references

1,2,4-Trimethylbenzene, also known as pseudocumene, is an organic compound with the chemical formula C₆H₃(CH₃)₃. Classified as an aromatic hydrocarbon, it is a flammable colorless liquid with a strong odor. It is nearly insoluble in water but soluble in organic solvents. It occurs naturally in coal tar and petroleum (about 3%).

Industrially, it is isolated from the C₉aromatic hydrocarbon fraction during petroleum distillation. Approximately 40% of this fraction is 1,2,4-trimethylbenzene. It is also generated by methylation of toluene and xylenes and the disproportionation of xylene over aluminosilicate catalysts.

Pseudocumene is a precursor to mellitic anhydride, from which high performance polymers are made. It is also used as a sterilizing agent and in the manufacture of dyes, perfumes, and resins. Another major use is as a gasoline additive.

1,2,4-Trimethylbenzene dissolved in mineral oil is used as a liquid scintillator in particle physics experiments such as NOνA and Borexino.

...
Wikipedia