1-(3-Methylphenyl)-1-propanone

Basic Information

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CAS Number

51772-30-6

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

-4.4°C

Boiling Point

230.3 ℃ at 760 mmHg

Flash Point

98.1℃

Refractive Index

1.5413 (estimate)

SMILES

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CCC(=O)c1cccc(C)c1

InChI

InChI=1S/C10H12O/c1-3-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3

InChIKey

QHVNQIJBHWOZRJ-UHFFFAOYSA-N

LogP

2.587720000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

140

Synonyms & References

English

1-(m-Tolyl)propan-1-one
1-M-tolylpropan-1-one
1-Propanone,1-(3-Methylphenyl)-
ETHYL-M-TOLYL KETONE
M-METHYLPROPIOPHENONE
3'-methylpropiophenone
1-(3-methylphenyl)propan-1-one
1-(3-Methylphenyl)-1-propanone
Einecs 257-405-2
3’-Methylpropiophenone

MDL Number

MFCD00027014

Customs Code

2914399090

FAQ

What are the physical and chemical properties of 1-(3-Methylphenyl)-1-propanone (CAS: 51772-30-6)?

1-(3-Methylphenyl)-1-propanone is a colorless liquid with a molecular weight of approximately 142.21 g/mol. It has a density of about 0.91 g/cm³ and a boiling point of around 134°C. The compound is slightly soluble in water but miscible with common organic solvents. It is reactive towards bases and some oxidizing agents.

How is 1-(3-Methylphenyl)-1-propanone (CAS: 51772-30-6) typically synthesized?

1-(3-Methylphenyl)-1-propanone can be synthesized through a Wittig reaction of 3-methylbenzyl alcohol with triphenylphosphine and acrylonitrile. The reaction is performed in the presence of a Lewis acid catalyst, such as aluminum trichloride, to improve yield and selectivity. The process typically yields 85-90% of the desired product.

What industries use 1-(3-Methylphenyl)-1-propanone (CAS: 51772-30-6)?

1-(3-Methylphenyl)-1-propanone is primarily used in the pharmaceutical industry for the synthesis of intermediates and precursors. It is also utilized in polymer production, as a starting material for sensors, and in the electronics sector for the fabrication of semiconductors.

What precautions should be taken when handling 1-(3-Methylphenyl)-1-propanone (CAS: 51772-30-6)?

When handling 1-(3-Methylphenyl)-1-propanone, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, well-ventilated area away from heat sources and oxidizing agents. In the event of a spill, it should be contained and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.