T73601

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T73601

1,2,4-Trimethylbenzene

98%

All Photos(1)

Synonym(s):

Pseudocumene

Linear Formula:

C₆H₃(CH₃)₃

CAS Number:

95-63-6

Molecular Weight:

120.19

Beilstein:

1903005

EC Number:

202-436-9

MDL number:

MFCD00008527

eCl@ss:

39011403

PubChem Substance ID:

24900445

NACRES:

NA.22

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

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This Item	45935	8.14505	T73202
Sigma-Aldrich T73601 1,2,4-Trimethylbenzene	Supelco 45935 1,2,3-Trimethylbenzene	Sigma-Aldrich 8.14505 1,2,4-Trimethylbenzene	Sigma-Aldrich T73202 1,2,3-Trimethylbenzene
assay 98%	assay -	assay ≥98.0% (GC)	assay -
refractive index n20/D 1.504 (lit.)	refractive index n20/D 1.513 (lit.)	refractive index -	refractive index n20/D 1.513 (lit.)
bp 168 °C (lit.)	bp 175-176 °C (lit.)	bp 168 °C/1013 hPa	bp 175-176 °C (lit.)
mp −44 °C (lit.)	mp −25 °C (lit.)	mp -44 °C	mp −25 °C (lit.)
density 0.876 g/mL at 20 °C (lit.)	density 0.894 g/mL at 25 °C (lit.)	density 0.88 g/cm³ at 20 °C	density 0.894 g/mL at 25 °C (lit.)
vapor density 4.1 (vs air)	vapor density 4.15 (vs air)	vapor density -	vapor density 4.15 (vs air)

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).

Pictograms

GHS02,GHS07,GHS08,GHS09

Signal Word

Danger

Hazard Statements

H226 - H304 - H315 - H319 - H332 - H335 - H411

Precautionary Statements

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

118.4 °F - closed cup

Flash Point(C)

48.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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