Mesitylacetonitrile

Basic Information

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CAS Number

34688-71-6

Molecular Formula

C11H13N

Molecular Weight

159.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

78.0 to 82.0 deg-C

Boiling Point

120 ºC (1 mmHg)

Flash Point

120°C/1mm

Refractive Index

1.5466 (estimate)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CC1=CC(=C(C(=C1)C)CC#N)C

InChI

InChI=1S/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3

InChIKey

SDKQOGSGNPGPRN-UHFFFAOYSA-N

LogP

2.67788

Complexity

176

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-Mesitylacetonitrile
Mesitylacetonitrile #
NS00029712
2,4,6-Trimethyl benzyl cyanide
2,4,6-trimethyl-benzyl cyanide
AI3-11207
2-(2,4,6-trimethylphenyl)ethanenitrile
2,4,6-Trimethylbenzeneacetonitrile
2,4,6-Trimethylphenylacetonitrile, 97%
J-019712
InChI=1/C11H13N/c1-8-6-9(2)11(4-5-12)10(3)7-8/h6-7H,4H2,1-3H3
SCHEMBL1022724
34688-71-6
CS-0153279
Mesitylacetonitrile
MFCD00013815
A822347
SDKQOGSGNPGPRN-UHFFFAOYSA-
S8V25LW8YP
2,4,6-Trimethylphenylacetonitrile
FT-0609908
DTXSID20188238
AKOS009157214
2,4,6 trimethylphenylacetonitrile
2-(2,4,6-trimethylphenyl)acetonitrile
EINECS 252-151-9
Benzeneacetonitrile, 2,4,6-trimethyl-
D92549
Z992740852
T1938
EN300-114114

MDL Number

MFCD00013815

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Mesitylacetonitrile (CAS: 34688-71-6)?

Mesitylacetonitrile (CAS: 34688-71-6) is a colorless to light yellow liquid with a characteristic odor. It has a molecular weight of approximately 146.16 g/mol and a melting point of -59°C. This compound is moderately soluble in water but highly soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can react with strong oxidizing agents. It is used in various applications due to its unique properties.

How is Mesitylacetonitrile (CAS: 34688-71-6) typically synthesized?

Mesitylacetonitrile (CAS: 34688-71-6) is synthesized by reacting mesityl oxide with hydrogen cyanide in the presence of a suitable catalyst. The reaction is carried out at a temperature around 100°C, providing good yield and selectivity. The synthetic route is efficient and commonly used in industrial settings to produce this compound.

What industries use Mesitylacetonitrile (CAS: 34688-71-6)?

Mesitylacetonitrile (CAS: 34688-71-6) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the production of functional polymers, and in the chemical industry for various intermediates. It is also utilized in the production of sensors and semiconductors for its unique chemical properties.

What precautions should be taken when handling Mesitylacetonitrile (CAS: 34688-71-6)?

When handling Mesitylacetonitrile (CAS: 34688-71-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.