CAS
NO. |
95-63-6 |
|
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
|
|
PRICE
INFORMATION |
|