Pseudocumene - Materials / Alfa Chemistry

NAVIGATION

Pseudocumene

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Catalog Number

ACMA00017400

Product Name

Pseudocumene

Category

Polymers

Description

1,2,4-trimethylbenzene appears as a liquid. Flash point near 130°F. Less dense than water and insoluble in water. Vapors irritate eyes, throat, and nose. Used in dyes and pharmaceuticals.;GasVapor; Liquid;liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Clear, colorless liquid with a distinctive, aromatic odor.

IUPAC Name

1,2,4-trimethylbenzene

Molecular Weight

120.19g/mol

Molecular Formula

C9H12;C9H12

Canonical SMILES

CC1=CC(=C(C=C1)C)C

InChI

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

InChI Key

GWHJZXXIDMPWGX-UHFFFAOYSA-N

Boiling Point

334.4 °F at 760 mm Hg (USCG, 1999);169.3 °C;168.89 °C;169 °C;337°F

Melting Point

-47.2 °F (USCG, 1999);-43.8 °C;-43.8 °C;-43.77 °C;-43.8°C;-44 °C;-77°F

Flash Point

111 °F (USCG, 1999);112 °F (44 °C) (Closed cup);44 °C c.c.;112°F

Density

0.889 (USCG, 1999);0.8758 g/cu cm at 20 °C; 0.8718 g/cu m at 25 °C;Relative density (water = 1): 0.88;0.88

Solubility

0.006 % (NIOSH, 2016);4.74e-04 M;0.057 mg/mL at 25 °C;Miscible with ethanol, benzene, ethyl ether, acetone, carbon tetrachloride, petroleum ether;In water, 57 mg/L at 25 °C;0.057 mg/mL at 25 °C;Solubility in water: very poor;0.006%

Application

Pseudocumene, a colorless liquid, serves multiple important roles across various industries due to its unique chemical properties. It is insoluble in water but dissolves readily in ethanol, ether, and benzene, making it a versatile solvent. This compound is utilized in the sterilization of catgut through heating, as well as in the manufacture of dyes, perfumes, and resins, owing to its solvent capabilities. Additionally, pseudocumene is deployed in liquid scintillation counting solutions, essential for radiometric analysis. As a member of the aromatic hydrocarbons, specifically 1,2,4-trimethylbenzene, pseudocumene plays a significant role in commercial solvents given its prevalence among the preferred isomers for these applications. While it is effective as a solvent, it is also classified as a neurotoxin, necessitating careful handling in its commercial and industrial use.

Color/Form

Clear, colorless liquid

Complexity

Covalently-Bonded Unit Count

EC Number

202-436-9

Exact Mass

120.0939g/mol

Formal Charge

Heat of Vaporization

39.2 kJ/mol at boiling point

Heavy Atom Count

ICSC Number

1433

Log P

3.63 (LogP);3.63;log Kow = 3.78;3.63;3.8

MeSH Entry Terms

1,2,4-trimethylbenzene;pseudocumene

Monoisotopic Mass

120.0939g/mol

NSC Number

65600

Odor

Distinctive, aromatic odor

Other Experimental

Specific gravity: 0.8761 at 20 degC/4 °C;Oxidation yields trimellitic anhydride;Heat of fusion at melting point= 1.3192X10+7 J/kmol; Liquid Molar Volume= 0.137779 cu m/kmol.;Heat of formation at 25 °C = -61.8 kJ/mol; Specific heat at 25 °C = 214.9 J/mol-K;Henry's Law constant = 6.16X10-3 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 3.25X10-11 cu cm/molec-sec at 25 °C

Refractive Index

Index of refraction: 1.5048 at 20 °C/D

Rotatable Bond Count

RTECS Number

DC3325000

UNII

34X0W8052F

UN Number

1993;1993;2325

Vapor Density

4.15 (Air = 1);Relative vapor density (air = 1): 4.1

Vapor Pressure