ChemicalBook > CAS DataBase List > 1,2,4-Trimethylbenzene

1,2,4-Trimethylbenzene

Product Name
1,2,4-Trimethylbenzene
CAS No.
95-63-6
Chemical Name
1,2,4-Trimethylbenzene
Synonyms
TRIMETHYLBENZENE;PSC;pseudo;PSI-CUMENE;PSEUDOCUMENE;1,2,4-trimethyl-benzen;1,3,4-TRIMETHYLBENZENE;1,2,5-Trimethylbenzene;Benzene,1,2,4-trimethyl-;1,2,4-trimethylbenzene (pseudocumene)
CBNumber
CB0854702
Molecular Formula
C9H12
Formula Weight
120.19
MOL File
95-63-6.mol
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1,2,4-Trimethylbenzene Property

Melting point:
-44 °C
Boiling point:
168 °C(lit.)
Density 
0.876 g/mL at 20 °C(lit.)
vapor density 
4.1 (vs air)
vapor pressure 
4.5 mm Hg ( 37.7 °C)
refractive index 
n20/D 1.504(lit.)
Flash point:
120 °F
storage temp. 
Store below +30°C.
solubility 
0.057g/l
form 
Liquid
pka
>14 (Schwarzenbach et al., 1993)
color 
Clear colorless
Odor
char. aromatic odor
explosive limit
0.8-7%(V)
Odor Threshold
0.12ppm
Water Solubility 
Soluble in alcohol, benzene and ether. Slightly soluble in water
Merck 
14,7915
BRN 
1903005
Henry's Law Constant
6.946, 11.202, and 15.702 at 27.0, 35.0, and 45.0 °C, respectively (dynamic headspace, Hansen et al., 1995)
Exposure limits
NIOSH REL: TWA 25 ppm (125 mg/m3); ACGIH TLV: TWA for mixed isomers 25 ppm (adopted).
Dielectric constant
2.4（16℃）
Stability:
Stable. Incompatible with strong oxidizing agents. Flammable. May form explosive mixtures with air.
InChIKey
GWHJZXXIDMPWGX-UHFFFAOYSA-N
LogP
3.630
CAS DataBase Reference
95-63-6(CAS DataBase Reference)
EPA Substance Registry System
1,2,4-Trimethylbenzene (95-63-6)
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Safety

Hazard Codes 
Xn,N,F,Xi,T
Risk Statements 
10-20-36/37/38-51/53-39/23/24/25-23/24/25-11-65
Safety Statements 
26-61-45-36/37-16-7-62
RIDADR 
UN 3295 3/PG 3
OEB
A
OEL
TWA: 25 ppm (125 mg/m3)
WGK Germany 
2
RTECS 
DC3325000
Autoignition Temperature
959 °F
Hazard Note 
Irritant/Flammable
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29029090
Hazardous Substances Data
95-63-6(Hazardous Substances Data)
Toxicity
LD50 i.p. in male, female mice (mg/kg): 5000, 4100 (Janik-Spiechowicz)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H226Flammable liquid and vapour

H304May be fatal if swallowed and enters airways

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P273Avoid release to the environment.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
T73601
Product name
1,2,4-Trimethylbenzene
Purity
98%
Packaging
2l
Price
$146
Updated
2024/03/01
Sigma-Aldrich
Product number
8.14505
Product name
1,2,4-Trimethylbenzene
Purity
for synthesis
Packaging
100mL
Price
$25
Updated
2024/03/01
Sigma-Aldrich
Product number
8.14505
Product name
1,2,4-Trimethylbenzene
Purity
for synthesis
Packaging
500mL
Price
$49.9
Updated
2024/03/01
Sigma-Aldrich
Product number
47324
Product name
1,2,4-Trimethylbenzene
Purity
analytical standard
Packaging
1000mg
Price
$36.9
Updated
2024/03/01
Sigma-Aldrich
Product number
45996
Product name
1,2,4-Trimethylbenzene
Purity
analytical standard
Packaging
250mg
Price
$15.7
Updated
2022/05/15
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1,2,4-Trimethylbenzene Chemical Properties,Usage,Production

Description

1,2,4-Trimethylbenzene (mesitylene) is an aromatic hydrocarbon compound commonly present in commercial solvents encompassing their boiling range. Mesitylene are the most common isomer used in commercial applications. Aromatic hydrocarbons in hydrocarbon solvents are predominantly alkylated one ring structures as well as two aromatic ring structures which may also be alkylated.

Chemical Properties

colourless liquid. Insoluble in water, soluble in ethanol, ether and benzene.

Physical properties

Colorless liquid with a slight aromatic odor. A detection odor threshold concentration of 12 mg/m3 (2.4 ppmv) was experimentally determined by Dravnieks (1974).

Uses

1,2,4-Trimethylbenzene is the unlabelled version of 1,2,4-Trimethyl 13C6-benzene (T796173), a labelled aromatic standard.

Uses

Sterilizing catgut by heating one hour at 160°; solvent in manufacture of dyes, perfumes and resins. Solvent for liquid scintillation counting solutions.

Definition

ChEBI: 1,2,4-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 4. It has a role as a neurotoxin.

Synthesis Reference(s)

Journal of the American Chemical Society, 73, p. 766, 1951 DOI: 10.1021/ja01146a079
Chemical and Pharmaceutical Bulletin, 34, p. 540, 1986 DOI: 10.1248/cpb.34.540

General Description

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.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

1,2,4-Trimethylbenzene is incompatible with the following: Oxidizers, nitric acid .

Hazard

Moderate fire risk. Central nervous system depressant, irritant to mucous membranes. Asthma and hematologic effects.

Health Hazard

Harmful if inhaled or swallowed. Vapor or mist is irritating to the eyes, mucous membrane and upper respiratory tract. Prolonged contact can cause dermatitis, nausea, headache, dizziness, and narcotic effect.

Safety Profile

Moderately toxic by intraperitoneal route. Mildly toxic by inhalation. Can cause central nervous system depression, anemia, bronchitis. Flammable liquid when exposed to heat, sparks, or flame. To fight fire, use foam, alcohol foam, mist. Emitted from modern building materials (CENEAR 69,22,91). When heated to decomposition it emits acrid smoke and irritating fumes.

Toxicology

Acute toxicity studies (oral, dermal and inhalation routes of exposure) have been conducted in rats. Oral LD50 values of greater than 5000 mg/kg have been reported. For solvent products containing predominantly mixed C9 aromatic hydrocarbons, oral LD50 values have been reported as greater than 6880 mg/kg (males) and greater than 3440 mg/kg (females). LC50 values of 18,000 mg/m3 was reported for 1,2,4-TMB. For C9 aromatic solvents, the LC50 was greater than 10,200 mg/m3 (Shell Research Laboratory, 1976, unpublished study). One dermal acute study showed an LD50 value of greater than 3440 mg/kg for a C9 aromatic solvent (Shellsol A, a highly aromatic solvent boiling in the white spirit range, consisting of primarily C9 isomers particularly TMBs)

Environmental Fate

Biological. In anoxic groundwater near Bemidji, MI, 1,2,4-trimethylbenzene anaerobically biodegraded to the intermediate 3,4-dimethylbenzoic acid and the tentatively identified compounds 2,4- and/or 2,5-dimethylbenzoic acid (Cozzarelli et al., 1990).
Photolytic. Glyoxal, methylglyoxal, and biacetyl were produced from the photooxidation of 1,2,4-trimethylbenzene by OH radicals in air at 25 °C (Tuazon et al., 1986a). A rate constant of 2.0 x 10-8 L/molecule?sec was reported for the reaction of 1,2,4-trimethylbenzene with OH radicals in the gas phase (Darnall et al., 1976). Similarly, the rate constants for the reaction of 1,2,4- trimethylbenzene and OH radicals at room temperature were 3.35 x 10-11 (Hansen et al., 1975) and 3.84 x 10-11 cm3/molecule?sec (Atkinson, 1985). At 25 °C, a rate constant of 3.15 x 10-11 cm3/molecule?sec was reported for the same reaction (Ohta and Ohyama, 1985). Products identified from the OH radical-initiated reaction of 1,2,4-trimethylbenzene in the presence of nitrogen dioxide were 3-hexene-2,5-dione and 2,3-butanedione (Bethel et al., 2000).
Chemical/Physical. 1,2,4-Trimethylbenzene will not hydrolyze in water (Kollig, 1993).

Purification Methods

Reflux pseudocumene over sodium and distil it under reduced pressure. [Beilstein 6 H 1088, 6 I 542, 6 II 1072, 6 III 6278, 6 IV 7339.]

1,2,4-Trimethylbenzene Preparation Products And Raw materials

Raw materials

PETROLEUM ETHER

Preparation Products

TRIMETHYLQUINONE Trimethylhydroquinone 1,2,4-Benzenetricarboxylic acid PSEUDOCUMENE-5-SULFONIC ACID Pyromellitic Dianhydride Trimellitic Anhydride Mesitylene 2,3,5-TRIMETHYL-1,4-BENZENE DIAMINE 1,2,4,5-Tetramethylbenzene 1-(4-Pyridyl)piperazine 4-Hydroxy carbazole Pyromellitic acid Chrysene
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View Lastest Price from 1,2,4-Trimethylbenzene manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
1,2,4-Trimethylbenzene 95-63-6
Price
US $30.00-10.00/KG
Min. Order
50KG
Purity
99%
Supply Ability
500000kg
Release date
2023-10-20
Hebei Chuanghai Biotechnology Co,.LTD
Product
1,2,4-Trimethylbenzene 95-63-6
Price
US $10.00/KG
Min. Order
1KG
Purity
99.%
Supply Ability
10 ton
Release date
2024-08-05
Henan Fengda Chemical Co., Ltd
Product
1,2,4-Trimethylbenzene 95-63-6
Price
US $100.00-1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2023-12-26

95-63-6, 1,2,4-TrimethylbenzeneRelated Search:

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  • TRIMETHYLBENZENE
  • 1,2,4-trimethyl-benzen
  • 1,2,4-trimethylbenzene (pseudocumene)
  • 1,3,4-TRIMETHYLBENZENE
  • 1,2,4-TRIMETHYLBENZENE
  • PSI-CUMENE
  • PSEUDOCUMENE
  • PSEUDOCUMOL
  • PSC
  • 1,2,4-trimethylbenzene(1,2,4-tmb)
  • 1,2,4-trimethylbenzene--benzene,1,2,4-trimethyl-
  • 1,2,5-trimethyl-benzen
  • 1,2,5-Trimethylbenzene
  • As-Trimethylbenzene
  • Asymmetrical trimethylbenzene
  • asymmetricaltrimethylbenzene
  • Benzene, 1,2,5-trimethyl-
  • Benzene,1,2,4-trimethyl-
  • Pseudocumene-1,2,4-trimethylbenzene
  • 1,2,4-Trimethylbenzene (1mg/ml in Methanol) [for Water Analysis]
  • ps-Cumene
  • 1,2,4-Trimethylbenzene,98%
  • 1,2,4-Trimethylbenzoyl
  • 1.2.4-Trimethylbenzene 1g [95-63-6]
  • 1,2,4-Trimethylbenze
  • asyM- TriMethylbenzene
  • pseudo
  • 1,2,4-TriMethylbenzene&nbsp
  • 1,2,4-TriMethylbenzene, 98% 1LT
  • 1,2,4-TriMethylbenzene, 98% 2.5LT
  • 1,2,4- threetoluene
  • 1.2.4-Trimethy
  • 1,2,4-TRIMETHYLBENZENE FOR SYNTHESIS
  • Heavy aromatic (tri-methylbenzene Isomer)
  • trimethyl-1,2,4benzene
  • uns-trimethylbenzene
  • unsym-Trimethylbenzene
  • unsym-triethylbenzene
  • Pseudocumene (PSC)
  • 1,2,4-TRIMETHYLBENZENE, 1 GRAM, NEAT
  • 1,2,4-TRIMETHYLBENZENE, 1X1ML, MEOH, 500 0UG/ML
  • 1,2,4-Trimethylbenzol, 250 MG
  • 1,2,4-TRIMETHYLBENZENE 99.9+% GC STANDARD
  • 1,2,4-Trimethylbenzere
  • 1,2,4-Trimethylbenzene,Certified
  • 1,2,4-Trimethylbenzene (95-98%)
  • 1,2,4-Trimethylbenzol
  • methyl-p-xylene,1,2,4-trimethylbenzene,pseudocumene
  • 1,2,4-trimethylbenzene solution
  • PSEUDOCUMENE(SG)
  • 1,2,4-Trimethylbenzene Standard
  • 1,2,4-TRIMETHYLBENZENE A.K.A. PSUDOCUMENE
  • 1,2,4-TrimethylbenzeneSolution,1000mg/L,1ml
  • 1,2,4-Trimethylbenzene &gt
  • 1,2,4-TrimethyL
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