Mesitylacetyl chloride

Basic Information

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CAS Number

52629-46-6

Molecular Formula

C11H13ClO

Molecular Weight

196.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

167-168 ºC

Density

1.095

SMILES

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CC1=CC(=C(C(=C1)C)CC(=O)Cl)C

InChI

InChI=1S/C11H13ClO/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3

InChIKey

NXCYVLQDRHQRHC-UHFFFAOYSA-N

LogP

2.919760000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

179

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-(2,4,6-trimethylphenyl)acetyl Chloride
(2,4,6-trimethylphenyl)-acetyl chloride
2,4,6-Trimethylphenylacetic chloride
52629-46-6
NXCYVLQDRHQRHC-UHFFFAOYSA-N
NS00077842
MESITYLACETYL CHLORIDE
MESITYLACETICACID
mesityleneacetyl chloride
mesitylene acetyl chloride
DTXSID201285261
(2,4,6-trimethyl-phenyl)-acetyl chloride
FT-0652789
E70361
2,4,6-Trimethyl phenyl acetic chloride
2,4,6-TRIMETHYLBENZENEACETYL CHLORIDE
MFCD16879087
2-Mesitylacetyl chloride
2,4,6-TRIMETHYLPHENYLACETYL CHLORIDE
A829178
SCHEMBL37165
2-Mesitylacetylchloride
Mesitylacetic acid
Mesityleneacetic acid
Mesity aceti acid
VITAS-BB TBB000369
RARECHEM AL BO 0305
BENZENEACETIC ACID, 2,4,6-TRIMETHYL-
2,4,6-TRIMETHYLBENZENEACETIC ACID
2,4,6-TRIMETHYLPHENYLACETIC ACID
2,4,6-TMPAC

MDL Number

MFCD00014368

FAQ

What are the physical and chemical properties of Mesitylacetyl chloride (CAS: 52629-46-6)?

Mesitylacetyl chloride (CAS: 52629-46-6) is a colorless to light yellow liquid with a molecular weight of approximately 224.24 g/mol. It has a boiling point of 128.5°C and a melting point of -19°C. This compound is soluble in organic solvents like ethanol and acetone. It is reactive, particularly in the presence of water, leading to hydrolysis and the formation of mesitylacetic acid.

How is mesitylacetyl chloride (CAS: 52629-46-6) typically synthesized?

Mesitylacetyl chloride (CAS: 52629-46-6) is typically synthesized by the reaction of mesitylacetic acid with thionyl chloride. The process involves refluxing the mixture under anhydrous conditions to ensure high selectivity and yield. Catalysts such as aluminum chloride can be used to improve the reaction rate and yield.

What industries use mesitylacetyl chloride (CAS: 52629-46-6)?

Mesitylacetyl chloride (CAS: 52629-46-6) is used in various industries, including pharmaceuticals, where it serves as an intermediate in drug synthesis. It is also used in the polymer industry for the modification of polymers, in the production of sensors, and in semiconductor manufacturing for certain purification processes.

What precautions should be taken when handling mesitylacetyl chloride (CAS: 52629-46-6)?

When handling mesitylacetyl chloride (CAS: 52629-46-6), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from heat sources. Fume hoods should be used during handling to avoid inhalation. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.