Mesitylene (1,3,5-Trimethylbenzene)

Mesitylene (1,3,5-Trimethylbenzene)
Compound Structure:
Synonyms: 1,3,5-trimethylbenzene; MESITYLENE; sym-Trimethylbenzene; 3,5-Dimethyltoluene; Trimethylbenzol; Benzene, 1,3,5-trimethyl-; s-Trimethylbenzene; 2,4,6-trimethylbenzene; Trimethylbenzene, 1,3,5-; 1,3,5-trimethyl-benzene
Compound ID: NMPC-1235
PubChem ID:

7947
Molecular Formula: C9H12
Canonical SMILES: CC1=CC(=CC(=C1)C)C
InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H226: Flammable liquid and vapor [Warning Flammable liquids]

• H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

First Aid

• For eye exposure, irrigate immediately with water and seek medical help.

• If on skin, wash with soap and water.

• If inhaled, move to fresh air, perform artificial respiration if needed, and seek medical attention.

• If swallowed, get medical help immediately (NIOSH, 2023).
Properties:

Chemical and Physical Properties


Property Name

Property Value

Molecular Weight

120.19 g/mol

XLogP3

3.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

120.093900383 g/mol

Monoisotopic Mass

120.093900383 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

9

Formal Charge

0

Complexity

55

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

1,3,5-trimethylbenzene appears as a colorless liquid with a peculiar odor. Insoluble in water and less dense than water. Flash point near 123 °F. May be toxic by ingestion and inhalation. Used to make plastics and dyes.

Boiling Point

165 °C

Melting Point

-44.8 °C

Vapor Pressure

2.48 [mmHg]

Source: PubChem
Source Species: Garcinia kola
Securidata longependuculat
Acalypha segetalis
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