PSEUDOCUMENE

PRODUCT IDENTIFICATION

CAS NO. 95-63-6

PSEUDOCUMENE

EINECS NO. 202-436-9
FORMULA C6H3(CH3)3
MOL WT. 120.20

H.S. CODE

2902.90.1000

UN NO.

3295

TOXICITY Oral rat LD50: 5 gm/kg 
SYNONYMS 1,2,4-Trimethylbenzene; 1,3,4-Trimethylbenzene;
1,2,5-Trimethylbenzene; 1,2,4-Trimethylbenzol (German); 1,2,4-Trimetilbenceno (Spanish); 1,2,4-Triméthylbenzène (French); Asymmetrical trimethylbenzene; psi-Cumene; Pseudocumol; as-Trimethylbenzene; Uns-trimethylbenzene;
SMILES c1(c(ccc(c1)C)C)C

CLASSIFICATION

Arene

PHYSICAL AND CHEMICAL PROPERTIES

PHYSICAL STATE clear liquid
MELTING POINT -44 C
BOILING POINT 168 - 169 C
SPECIFIC GRAVITY 0.875 - 0.880
SOLUBILITY IN WATER Insoluble
SOLVENT SOLUBILITY Miscible with alcohol, benzene, ether
VAPOR DENSITY 4.15
log Pow 3.63 (Octanol-water)
VAPOR PRESSURE 2.1 (mmHg)
HENRY LAW CONSTANT 0.00616 (atm-m3/mole at 25 C)
OH RATE CONSTANT 3.25E-11 (cm3/molecule-sec at 25 C Atmospheric)

AUTOIGNITION

500 C

NFPA RATINGS

Health: 1; Flammability: 2 ; Reactivity: 0

REFRACTIVE INDEX

1.5048
FLASH POINT 48 C
STABILITY Stable under ordinary conditions

EXTERNAL LINKS & GENERAL DESCRIPTION

Wikipedia Linking

Material Safety Data Sheet

Google Scholar Search

http://www.epa.gov/
A. Production: Production of 1,2,4-trimethylbenzene occurs during petroleum refining as a major component of the C9 aromatic hydrocarbon fraction (or simply the C9 fraction). It typically constitutes around forty percent of the C9 fraction with other trimethyl- benzenes and ethyltoluenes making up the remainder of this fraction. Nearly 200 refineries in the United States produce the C9 fraction at an estimated annual volume of 80 billion pounds (U.S. EPA 1991). Only one company (Koch Refining) in the United States currently isolates 1,2,4-trimethylbenzene. In 1981, production was estimated to be greater than 4,540 kilograms. Proprietary sources and Toxics Release Inventory (TRI) data indicate 1992 production volume to be much higher. EPA estimates in excess of 10 million pounds of 1,2,4-trimethylbenzene to be isolated annually. Imports reached approximately 5.41 million kilograms in 1981. No export data are available (HSDB 1994; U.S. International Trade Commission 1994).
B. Use: The primary use of the C9 fraction, approximately 99% of its production volume, is as a gasoline additive. Uses of the remaining C9 fraction (approximately 350 million pounds) include those as a solvent in coatings; cleaners; pesticides; and printing and inks. Information on 80% of the domestic production of C9 fraction solvents indicate the median ethyltoluene and trimethyl- benzene content is 80% with a range of 75%-90% (U.S. EPA 1991). Isolated 1,2,4-trimethylbenzene is used in a number of industrial applications. It is used chiefly as the raw material for production of trimellitic anhydride. It is also used in the manu- facture of pharmaceuticals and dyes (Sax and Lewis 1987).
C. Trends: Though no production forecasts have been made for 1,2,4-trimethyl- benzene, TRI data indicate releases to have been stable for the three-year period 1990-1992.

GENERAL DESCRIPTION:
There are three isomeric compounds of trimethyl benzene, which all have trivial names respectively. The 1,2,3- isomer is called Hemellitol (or Hemimellitene) ; 1,2,4- isomer is called Pseudocumene; 1,3,5- isomer is called Mesitylene (or Mesitelene).  They are prepared from petroleum and coal tar and used as solvents for resins, gums, and nitrocellulose. and used as intermediates for the manufacturing other chemical compounds.

SALES SPECIFICATION

APPEARANCE

clear liquid

CONTENT

99.0% min

SPECIFIC GRAVITY 0.875 - 0.880

TRANSPORTATION

PACKING 170kgs in drum
HAZARD CLASS 3 (Packing group: III)
UN NO. 1993
SAFETY INFORMATION
Hazard Symbols: XI N F, Risk Phrases: 10-36/3738-20-51/53, Safety Phrases: 26-61

ALKYL SUBSTITUTED BENZENE DERIVATIVES

Name

Systemic name

CAS RN

M.P กษ

B.P กษ

Toluene Methylbenzene 108-88-3 -93 110.6
Ethylbenzene

 

100-41-4 -94.9

136

n-Propylbenzene

Propylbenzene 103-65-1 -101.6 159
n-Butylbenzene Butylbenzene 104-51-8

-88

183

Cumene Isopropylbenzene 98-82-8

-96

151

o-Xylene 1,2-Dimethylbenzene 95-47-6 -25.2 144
m-Xylene 1,3-Dimethylbenzene 108-38-3 -47.9 139
p-Xylene 1,4-Dimethylbenzene 106-42-3 13.3 138.3
Hemimellitene 1,2,3-Trimethylbenzene 95-36-3

 

 

Mesitylene 1,3,5-Trimethylbenzene 108-67-8 -44.7 165
Pseudocumene 1,2,4-Trimethylbenzene 95-63-6 -43.8 169
o-Ethyltoluene 1-Methyl-2-ethylbenzene 611-14-3

-17

154

m-Ethyltoluene 1-Methyl-3-ethylbenzene 620-14-4

 

161

p-Ethyltoluene 1-Methyl-4-ethylbenzene 622-96-8

-62

162

o-Diethylbenzene 1,2-Diethylbenzene 135-01-3 -31

183

m-Diethylbenzene 1,3-Diethylbenzene 141-93-5 -84 181
p-Diethylbenzene 1,4-Diethylbenzene 105-05-5 -43 184
o-Propyltoluene 1-Methyl-2-n-propylbenzene 1074-17-5

 

185

m-Propyltoluene 1-Methyl-3-n-propylbenzene 1074-43-7

 

182

o-Propyltoluene 1-Methyl-4-n-propylbenzene 1074-55-1

-64

183

o-Cymene 1-Methyl-2-isopropylbenzene 527-84-4 -71 178

m-Cymene

1-Methyl-3-isopropylbenzene 535-77-3 -64 175
p-Cymene 1-Methyl-4-isopropylbenzene 99-87-6 -67 176
o-Diisopropylbenzene 1,2-Diisopropylbenzene 577-55-9

 

204

m-Diisopropylbenzene 1,3-Diisopropylbenzene 99-62-7

-63

203

p-Diisopropylbenzene 1,4-Diisopropylbenzene 100-18-5

-17

203

o-Butyltoluene 1-Butyl-2-methylbenzene 1595-11-5

 

 

m-Butyltoluene 1-Butyl-3-methylbenzene 1595-04-6

 

205

p-Butyltoluene 1-Butyl-4-methylbenzene 1595-05-7

 

207

o-Dibutylbenzene

1,2-Dibutylbenzene

 

 

 

m-Dibutylbenzene

1,3-Dibutylbenzene 17171-74-3

 

 

p-Dibutylbenzene

1,4-Dibutylbenzene 1571-86-4

 

 

tert-Butylbenzene

 

98-06-6

-58

169

1,2,4,5-Tetra-tert-butylbenzene

 

796-97-4

 

 

o-Di-tert-Butylbenzene 1,2-Di-tert-butylbenzene 3370-28-3

 

 

m-Di-tert-Butylbenzene

1,3-Di-tert-butylbenzene 3370-27-2

 

 

p-Di-tert-Butylbenzene 1,4-Di-tert-butylbenzene 1012-72-2

75

236

4-tert-Butyltoluene 1-Methyl-4-tert-butylbenzene 98-51-1

-52

193

5-tert-Butyl-m-xylene 1,3-Dimethyl-5-tert-butylbenzene 98-19-1

-18

205

Prehnitene 1,2,3,4-Tetramethylbenzene 488-23-3

-6

205

Durene 1,2,4,5-Tetramethylbenzene 95-93-2

76

197

Isodurene 1,2,3,5-Tetramethylbenzene 527-53-7

-24

198

Mellitene Hexamethylbenzene 87-85-4

164

264

Hexaethylbenzene

 

604-88-6

129

298

Hexadecylbenzene

 

1459-09-2

27

385

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