1-(3,4-Dimethylphenyl)ethanone

Basic Information

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CAS Number

3637-01-2

Molecular Formula

C10H12O

Molecular Weight

148.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

-1.5°C

Boiling Point

243 °C

Refractive Index

n20/D 1.538(lit.)

SMILES

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CC(=O)c1ccc(C)c(C)c1

InChI

InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3

InChIKey

WPRAXAOJIODQJR-UHFFFAOYSA-N

LogP

2.5060400000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

151

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-(3,4-Dimethylphenyl)ethanone
3,4-Dimethylacetophenone
3',4'-Dimethylacetophenone
3’,4’-DIMETHYLACETOPHENONE
3′,4′-Dimethylacetophenone
1-(3,4-Dimethylphenyl)ethan-1-one

MDL Number

MFCD00008743

Customs Code

2914399090

FAQ

What are the physical and chemical properties of 1-(3,4-Dimethylphenyl)ethanone (CAS: 3637-01-2)?

1-(3,4-Dimethylphenyl)ethanone (CAS: 3637-01-2) is a crystalline solid with a molecular weight of 154.22 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Its boiling point is around 182°C and melting point is approximately 78°C. It reacts readily with nucleophiles and is used in the synthesis of various organic compounds due to its reactivity.

How is 1-(3,4-Dimethylphenyl)ethanone (CAS: 3637-01-2) typically synthesized?

1-(3,4-Dimethylphenyl)ethanone (CAS: 3637-01-2) is typically synthesized via Friedel-Crafts acylation, where benzene with 3,4-dimethyl substituents is reacted with acetyl chloride in the presence of aluminum chloride as a catalyst. The yield is around 70-80%, and the reaction is highly selective, leading to a high purity product.

What industries use 1-(3,4-Dimethylphenyl)ethanone (CAS: 3637-01-2)?

1-(3,4-Dimethylphenyl)ethanone (CAS: 3637-01-2) is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of drugs. It is also used in the production of polymers, sensors, and semiconductors due to its unique chemical properties and reactivity.

What precautions should be taken when handling 1-(3,4-Dimethylphenyl)ethanone (CAS: 3637-01-2)?

When handling 1-(3,4-Dimethylphenyl)ethanone (CAS: 3637-01-2), safety goggles and gloves should be worn to protect against skin contact and eye irritation. This compound should be stored in a cool, dry place away from heat sources and oxidizers. In case of spill, immediately clean up with appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further instructions. Always use a fume hood to minimize inhalation risk.