1,2,4,5-Tetramethylbenzene Chemical Properties

Melting point:

78 °C

Boiling point:

196-197 °C

Density 

0.838 g/mL at 25 °C(lit.)

vapor density 

4.6 (vs air)

vapor pressure 

160 mm Hg ( 140 °C)

refractive index 

1.5093

Flash point:

165 °F

storage temp. 

Flammables area

solubility 

0.00348g/l

form 

crystals

color 

White to Almost white

Specific Gravity

0.838

Odor

rancid sweet

Water Solubility 

insoluble

Merck 

14,3468

BRN 

1903393

Henry's Law Constant

2.49 at 25 °C (approximate - calculated from water solubility and vapor pressure)

InChI

1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3

InChIKey

SQNZJJAZBFDUTD-UHFFFAOYSA-N

SMILES

Cc1cc(C)c(C)cc1C

LogP

4.000

CAS DataBase Reference

95-93-2(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1,2,4,5-tetramethyl-(95-93-2)

EPA Substance Registry System

1,2,4,5-Tetramethylbenzene (95-93-2)

Safety Information

Hazard Codes 

F,N

Risk Statements 

11-53-50

Safety Statements 

16-61

RIDADR 

UN 1325 4.1/PG 2

WGK Germany 

1

RTECS 

DC0500000

TSCA 

TSCA listed

HazardClass 

4.1

PackingGroup 

III

HS Code 

29029080

Storage Class

4.1B - Flammable solid hazardous materials

Hazard Classifications

Aquatic Acute 1
Aquatic Chronic 1
Flam. Sol. 1

Toxicity

LD50 orally in Rabbit: 6700 mg/kg

MSDS

• Language:English Provider:1,2,4,5-Tetramethylbenzene
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
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1,2,4,5-Tetramethylbenzene Usage And Synthesis

Chemical Properties

white to brown semi-transparent crystals

Physical properties

Colorless crystals or scales with a camphor-like odor

Uses

Plasticizers; polymers; fibers; organic synthesis.

Uses

1,2,4,5-Tetramethylbenzene is used in method for reducing odor in room in remodeling work by removing causative substances.

Definition

ChEBI: Durene is a tetramethylbenzene carrying methyl groups at positions 1, 2, 4 and 5.

General Description

Colorless crystals with a camphor-like odor.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as 1,2,4,5-Tetramethylbenzene, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.

Synthesis

Even tetramethylbenzene is one of the components of coal tar, originally prepared from metatrimethylbenzene in 1870. It is obtained by the methylation reaction of other toluene, such as p-xylene or meta-trimethylbenzene.
C6H4(CH3)2 + 2CH3Cl → C6H2(CH3)4 + 2 HCl
Industrially produced using the alkylation reaction of xylene with trimethylbenzene and methanol. Homotetramethylene can be selectively crystallized from its isomers based on its high melting point. Primitive syntheses include similar reactions with toluene as a feedstock.

Purification Methods

Chromatograph durene on alumina, and recrystallise it from aqueous EtOH or *benzene. Zone-refining removes duroaldehydes. Dry it under vacuum. [Yamauchi et al. J Phys Chem 89 4804 1985.] It has also been sublimed in vacuo [Johnston et al. J Am Chem Soc 109 1291 1987]. [Beilstein 5 H 431, 5 I 207, 5 II 329, 5 III 979, 5 IV 1076.]

Toxics Screening Level

The initial threshold screening level (ITSL) for 1,2,4,5-tetramethyl benzene is 20 μg/m3 (annual averaging time).

1,2,4,5-Tetramethylbenzene(95-93-2)Related Product Information

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