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Merck
CN

M7200

Mesitylene

98%

Synonym(s):

1,3,5-Trimethylbenzene

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About This Item

Linear Formula:
C6H3(CH3)3
CAS Number:
108-67-8
Molecular Weight:
120.19
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
57654405
EC Number:
203-604-4
Beilstein/REAXYS Number:
906806
MDL number:
MFCD00008538

Key Documents

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Product Name

Mesitylene, 98%

SMILES string

Cc1cc(C)cc(C)c1

InChI key

AUHZEENZYGFFBQ-UHFFFAOYSA-N

InChI

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

vapor density

4.1 (vs air)

vapor pressure

14 mmHg ( 55 °C)
2.49 mmHg ( 25 °C)

assay

98%

form

liquid

autoignition temp.

1022 °F

expl. lim.

0.88-6.1 %, 100 °F

refractive index

n20/D 1.499 (lit.)

bp

163-166 °C (lit.)

mp

−45 °C (lit.)

density

0.864 g/mL at 25 °C (lit.)

Quality Level

200

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Application

Mesitylene may be used to:
  • Grow fullerene(C60)/1,3,5-trimethylbenzene (mesitylene) nanowires.
  • Prepare 2′,4′,6′-trimethyl acetophenone with high slectivity by reacting with acetyl chloride in the presence of dodecatungstophosphoric acid (DTP)/K-10 montomorillonite clay.
  • Synthesize 3,5-dimethylbenzaldehyde from benzene via peroxidative oxidation in the presence of vanadium(IV or V) compounds with N,O-ligands as catalysts.

General description

Mesitylene, also known as 1,3,5-trimethylbenzene, is a benzene derivative. Its carbon-13 spin-lattice relaxation times, dipolar relaxation rates and nuclear Overhauser enhancements have been measured to analyze the internal methyl rotation and intermolecular interactions. The anodic oxidation of mesitylene at a platinum electrode in the presence of different electroytes has been investigated. The ring deformation in mesitylene has been studied in the gas-phase by electron diffraction.

Packaging

10L packaged in barrier layer poly jerrycan with electrostatically dissipating outside; 5mL, 100mL, 500mL packaged in glass bottles

signalword

Danger

Hazard Classifications

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

122.0 °F

flash_point_c

50 °C

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKDB0150
MKCZ6585
MKCZ6584
BCCN3149
MKCX6437

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The molecular structure of mesitylene as determined by electron diffraction.
Almenningen, A, et al.
Journal of Molecular Structure, 96(3-4), 373-377 (1983)
Carbon-13 Relaxation and Internal Rotation in Mesitylene and o-Xylene.
Kuhlmann KF and Grant DM.
J. Chem. Phys. , 55(6), 2998-3007 (1971)
Peroxidative oxidation of benzene and mesitylene by vanadium catalysts.
Reis PM, et al.
J. Mol. Catal. A: Chem., 224(1), 189-195 (2004)
Growth mechanism of C60/mesitylene nanowires.
Zhou Y and Zhou W.
CrystEngComm, 14(4), 1449-1454 (2012)
Kinetics and mechanism of selective monoacylation of mesitylene.
Yadav GD and Asthana NS.
Industrial & Engineering Chemistry Research, 41(23), 5565-5575 (2002)
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