Pseudocumene - Materials / Alfa Chemistry

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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%

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