1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone

Basic Information

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CAS Number

2040-10-0

Molecular Formula

C14H20O

Molecular Weight

204.31 g/mol

Basic Physical Properties

Melting Point

47-49 °C

Boiling Point

150 °C20 mm Hg

Refractive Index

1.5397 (estimate)

SMILES

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Cc1cc(cc(c1C(=O)C)C)C(C)(C)C

InChI

InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3

InChIKey

JNHLHPMTMTYLCP-UHFFFAOYSA-N

LogP

3.8035400000000026

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

224

Synonyms & References

English

Ethanone,1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
1-acetyl-2,6-dimethyl-4-t-butylbenzene
2,6-dimethyl-4-t-butylacetophenone
4'-t-butyl-2',6'-dimethylacetophenone
4-tert-Butyl-2,6-dimethylacetophenone
Acetophenone,4'-tert-butyl-2',6'-dimethyl
Acetophenone,6'-dimethyl

MDL Number

MFCD00026301

Customs Code

2914399090

FAQ

What is 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone (CAS: 2040-10-0)?

1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone, also known as 4-(2-methyl-2-propanyl)-2,6-dimethylphenylethanone, is a colorless to yellowish liquid with a characteristic odor. It has a molecular formula of C13H18O and a molecular weight of approximately 194.31. This compound is used in various applications due to its functional groups and structural properties.

What are the main uses of 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone (CAS: 2040-10-0)?

1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone is primarily used as a precursor in the synthesis of pharmaceuticals and agrochemicals. It also finds applications in the formulation of fragrances and as a solvent in chemical reactions. Additionally, it is used in the production of certain resins and polymers.

Is 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone (CAS: 2040-10-0) safe?

1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone is generally considered safe for industrial and research purposes, but proper handling and safety precautions are essential. It is flammable and should be stored in a cool, well-ventilated place away from direct heat and ignition sources. Protective equipment, including gloves and safety goggles, should be used during handling to prevent skin and eye contact.

How should 1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone (CAS: 2040-10-0) be stored?

1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)phenyl]ethanone should be stored in a cool, dark place to prevent degradation and ensure safety. Store it in a tightly closed container made of appropriate materials, such as glass or plastic, that can withstand the chemical's properties. Maintain a temperature below 25°C and avoid exposure to sunlight and high temperatures. Adequate ventilation is necessary during storage and handling to prevent the buildup of flammable vapors.