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Merck
CN

442236

1,3,5-Trimethylbenzene

analytical standard

Synonym(s):

Mesitylene, 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
EC Number:
203-604-4
UNSPSC Code:
12352200
PubChem Substance ID:
24867747
Beilstein/REAXYS Number:
906806
MDL number:
MFCD00008538

Key Documents

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InChI key

AUHZEENZYGFFBQ-UHFFFAOYSA-N

InChI

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

SMILES string

Cc1cc(C)cc(C)c1

grade

analytical standard

vapor density

4.1 (vs air)

vapor pressure

14 mmHg ( 55 °C), 2.49 mmHg ( 25 °C)

autoignition temp.

1022 °F

expl. lim.

0.88-6.1 %, 100 °F

packaging

ampule of 1000 mg

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

163-166 °C (lit.)

mp

−45 °C (lit.)

density

0.864 g/mL at 25 °C (lit.)

application(s)

environmental

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Asp. Tox. 1 - 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

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Certificates of Analysis (COA)

Lot/Batch Number
LB86550V
LB82831V
LB82830V
LB82017V
LB80389V

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Michael Cushion et al.
Dalton transactions (Cambridge, England : 2003), (9)(9), 1632-1635 (2009-05-08)
The new sterically encumbered facially coordinating N(3)-donor ligand cis,cis-1,3,5-tris(mesitylideneimino)cyclohexane (L1) has been synthesised. Reaction with [Cu(NCCH(3))(4)]PF(6) gives [Cu(L1)NCCH(3)]PF(6) (1), the bound acetonitrile being labile and readily replaced by CO to yield [Cu(L1)CO]PF(6) (2); both 1 and 2 have been structurally
M Prager et al.
Physical chemistry chemical physics : PCCP, 7(13), 2587-2593 (2005-09-29)
Mesitylene can be stabilized at He temperature in three solid phases of so far unknown crystal structures. Rotational tunneling of methyl groups is based on rotational potentials and used to characterize structural aspects. In phase III found after the first
Dorota Wiaderna et al.
International journal of occupational medicine and environmental health, 15(4), 385-392 (2003-03-01)
Trimetylbenzene isomers: pseudocumene, hemimellitene and mesitylene, are major components of numerous commercial solvents and high-grade fuels. In our earlier research on rats we have proved that inhalation exposure to pseudocumene or hemimellitene at concentrations close to the MAC value results
Dalit Rechavi et al.
Journal of the American Chemical Society, 126(25), 7738-7739 (2004-06-24)
Isotope effects for the encapsulation of deuterated versus nondeuterated guests are determined. This system involves the use of social isomers, and the origin of the isotope effect is localized to methyl groups interacting with aromatic rings.
Natalie D Coombs et al.
Dalton transactions (Cambridge, England : 2003), (3)(3), 332-337 (2008-04-17)
Sterically encumbered amido ligands based on a 1,8-diarylcarbazol-9-yl backbone have been investigated as electronically distinct alternatives to the widely-used terphenyl ligand class in the stabilization of low-coordinate metal complexes, and structurally characterized for the first time. While 1,8-diphenylcarbazol-9-yl derivatives are
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