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T73601

1,2,4-Trimethylbenzene

Name: 1,2,4-Trimethylbenzene
Brand: ALDRICH

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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Properties

vapor density

4.1 (vs air)

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

Description

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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pictograms

GHS02,GHS08,GHS07,GHS09

signalword

Danger

hcodes

H226,H304,H315,H319,H332,H335,H411

pcodes

P210 - P273 - P301 + P310 + P331 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338

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

Regulatory Information

危险化学品

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Synthesis of durene by methylation of 1, 2, 4-trimethylbenzene with syngas over bifunctional CuZnZrO x-HZSM-5 catalysts

Wen D, et al.

Catalysis Science & Technology (2022)

Polycyclic aromatic hydrocarbon formation in a flame of the alkylated aromatic trimethylbenzene compared to those of the alkane dodecane

Tirthankar M, et al.

Combustion and Flame, 223, 495-510 (2021)

Synthesis of 1,2,4-Oxadiazoles by Tandem Reaction of Nitroalkenes with Arenes and Nitriles in the Superacid TfOH.

Andrei A Golushko et al.

The Journal of organic chemistry, 84(11), 7495-7500 (2019-05-24)

The tandem reaction of nitroalkenes with arenes and nitriles in the superacid CF3SO3H (TfOH) results in the formation of 1,2,4-oxadiazole derivatives in yields up to 96%. This reaction proceeds via the consequent interaction of arenes and nitriles, as nucleophiles, with

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Global Trade Item Number

SKU	GTIN
T73601-500ML	04061837372735
T73601-25ML	04061837372698
T73601-2L	04061837372704