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T73601

1,2,4-Trimethylbenzene

98%

Synonym(s):

Pseudocumene

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About This Item

Linear Formula:
C6H3(CH3)3
CAS Number:
95-63-6
Molecular Weight:
120.19
NACRES:
NA.22
PubChem Substance ID:
24900445
eCl@ss:
39011403
UNSPSC Code:
12352100
EC Number:
202-436-9
MDL number:
MFCD00008527
Beilstein/REAXYS Number:
1903005
Assay:
98%
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vapor density

4.1 (vs air)

Quality Segment

100

vapor pressure

4.5 mmHg ( 37.7 °C)

assay

98%

autoignition temp.

959 °F

expl. lim.

6.4 %

refractive index

n20/D 1.504 (lit.)

bp

168 °C (lit.)

mp

−44 °C (lit.)

density

0.876 g/mL at 20 °C (lit.)

SMILES string

Cc1ccc(C)c(C)c1

InChI

1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

InChI key

GWHJZXXIDMPWGX-UHFFFAOYSA-N

General description

1,2,4-Trimethylbenzene, also known as Pseudocumene is an alkylated aromatics that is commonly used in the synthesis of polycyclic aromatic hydrocarbons.

Application

1,2,4-Trimethylbenzene can be used as a reactant to synthesize:
  • 2,3,5-Trimethylbenzoquinone via oxidation reaction with phthaloyl peroxide under solvent-free conditions.      
  • 1,2,4,5-Tetramethylbenzene (durene) by methylation using syngas in the presence of Cu and Zn-based bifunctional catalysts.
  •  1,2,4-Oxadiazole derivatives via tandem reaction with nitroalkenes and nitriles in the presence of superacid CF3SO3H (TfOH).

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Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

118.4 °F - closed cup

flash_point_c

48.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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