4-Methyl-4-phenyl-2-pentanone

Basic Information

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CAS Number

7403-42-1

Molecular Formula

C12H16O

Molecular Weight

176.26 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(=O)CC(c1ccccc1)(C)C

InChI

InChI=1S/C12H16O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3

InChIKey

PFDVPCSDZXZDMF-UHFFFAOYSA-N

LogP

2.9433000000000016

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

2-Pentanone,4-methyl-4-phenyl-
4-methyl-4-phenylpentan-2-one
2-Pentanone,4-methyl-4-phenyl
4-Methyl-4-phenyl-2-pentanone
4-Methyl-4-phenyl-pentan-2-on
4-methyl-4-phenyl-pentan-2-one
4-Oxo-2-methyl-2-phenyl-pentan
4-phenyl-4-methyl-2-pentanone
4-Phenyl-4-methylpentan-2-one
Methyl 2-methyl-2-phenylpropyl ketone

MDL Number

MFCD00089461

Customs Code

2914399090

FAQ

What are the physical and chemical properties of 4-Methyl-4-phenyl-2-pentanone (CAS: 7403-42-1)?

4-Methyl-4-phenyl-2-pentanone (CAS: 7403-42-1) is a colorless to yellow liquid with a molecular weight of 150.22 g/mol. It has a melting point of -55°C, boiling point of 203-207°C, and is soluble in organic solvents like ethanol and acetone. It is moderately reactive with strong bases and oxidizers, making it important in organic synthesis and pharmaceutical applications.

How is 4-Methyl-4-phenyl-2-pentanone (CAS: 7403-42-1) typically synthesized?

4-Methyl-4-phenyl-2-pentanone (CAS: 7403-42-1) is commonly synthesized via the reaction of methyl acetoacetate with phenylmagnesium bromide followed by acid work-up. The yield is typically around 70-80%, with high selectivity towards the desired product.

What industries use 4-Methyl-4-phenyl-2-pentanone (CAS: 7403-42-1)?

4-Methyl-4-phenyl-2-pentanone (CAS: 7403-42-1) is used in several industries, including pharmaceuticals, where it serves as a key intermediate in drug synthesis, and in the chemical industry for the production of polymers and flavor compounds. It also finds applications in the development of chemical sensors and semiconductor materials.

What precautions should be taken when handling 4-Methyl-4-phenyl-2-pentanone (CAS: 7403-42-1)?

When handling 4-Methyl-4-phenyl-2-pentanone (CAS: 7403-42-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. It should be stored in a cool, dry place away from strong acids and bases. In case of spill, neutralize with an appropriate reagent and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.