4,4-Dimethyl-2-pentanone

Basic Information

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CAS Number

590-50-1

Molecular Formula

C7H14O

Molecular Weight

114.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

-64°C

Boiling Point

125-130 °C

Refractive Index

n20/D 1.404(lit.)

SMILES

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

InChI

InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3

InChIKey

AZASWMGVGQEVCS-UHFFFAOYSA-N

LogP

2.0116

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

87.1

Safety Information

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GHS Hazard Pictograms

H225

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.1 Class 3.1

Synonyms & References

English

EN300-93150
Neopentyl methyl ketone
Methyl neopentyl ketone
NSC 944
CS-0264549
EINECS 209-685-2
4,4-dimethyl-pentan-2-one
A832134
NSC944
InChI=1/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H
Z1171198845
590-50-1
NSC-944
FT-0632456
NS00034071
MFCD00008854
neo-C5H11COCH3
WT892W449L
4,4-Dimethyl-2-pentanone, 99%
SCHEMBL104505
Methyl neoamyl ketone
4,4-Dimethyl-2-pentanone
DTXSID4073914
AS-44232
UNII-WT892W449L
AKOS009156830
2-Pentanone, 4,4-dimethyl-
4,4-DIMETHYLPENTAN-2-ONE
2-Pentanone,4,4-dimethyl-
4,4-dimethylpentan-2-one
4,4-DiMethyl-2-pentanone

MDL Number

MFCD00008854

Customs Code

2914190090

FAQ

What is 4,4-Dimethyl-2-pentanone (CAS: 590-50-1)?

4,4-Dimethyl-2-pentanone, also known as 2-methyl-3-heptanone or dimethylpentan-2-one (CAS: 590-50-1), is a colorless, clear liquid with a characteristic ketone odor. It is soluble in water and has a boiling point of 146°C and a melting point of -83°C. This compound is used as a solvent, in the synthesis of other chemicals, and as a fragrance ingredient in perfumes.

What are the main uses of 4,4-Dimethyl-2-pentanone (CAS: 590-50-1)?

4,4-Dimethyl-2-pentanone (CAS: 590-50-1) is primarily used as a solvent in organic synthesis, pharmaceuticals, and coating industries. It is also used as a fragrance in perfumes and cosmetics, and in the production of resins and adhesives. Additionally, it serves as a reagent in the chemical industry.

Is 4,4-Dimethyl-2-pentanone (CAS: 590-50-1) safe?

4,4-Dimethyl-2-pentanone (CAS: 590-50-1) is generally considered safe when handled appropriately. However, it can cause irritation to the eyes, skin, and respiratory tract. Proper ventilation and personal protective equipment, such as gloves and goggles, should be worn during handling. It is important to follow safety guidelines and adhere to local regulations.

How should 4,4-Dimethyl-2-pentanone (CAS: 590-50-1) be stored?

4,4-Dimethyl-2-pentanone (CAS: 590-50-1) should be stored in a cool, dry place away from heat and open flames. It should be kept in tightly sealed containers to prevent evaporation and contamination. Avoid exposure to direct sunlight and store it in a well-ventilated area to minimize the risk of fire and ensure proper air circulation.