4,4-Dimethoxy-2-butanone

Basic Information

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CAS Number

5436-21-5

Molecular Formula

C6H12O3

Molecular Weight

132.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-82 ºC

Boiling Point

70-73 °C/20 mmHg

Refractive Index

n20/D 1.414(lit.)

SMILES

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COC(CC(=O)C)OC

InChI

InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3

InChIKey

PJCCSZUMZMCWSX-UHFFFAOYSA-N

LogP

0.5843999999999999

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

86.3

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

4,4-Dimethoxybutan-2-one
Acetylacetaldehyde dimethyl acetal
4,4-Dimethoxy-2-butanone
1,1-Dimethoxy-3-butanone
4.4-Dimethoxy-2-butanone
Acetoacetaldehyde DiMethyl Acetal
3-Ketobutyraldehyde dimethyl acetal
3-Oxobutyraldehyde dimethylacetal
4,4-Dimethoxybutanon
KBA
Acetoacetaldehyde Dimethyl Acetal

MDL Number

MFCD00008789

Customs Code

29145000

FAQ

What is 4,4-Dimethoxy-2-butanone (CAS: 5436-21-5)?

4,4-Dimethoxy-2-butanone (CAS: 5436-21-5) is an organic compound with the chemical formula C6H12O3. It belongs to the class of ketones and features two methoxy groups attached to the fourth carbon of a butane chain. This compound is known for its stability and is commonly used as a precursor in chemical synthesis. Its molecular structure contributes to its solubility in organic solvents and low volatility.

What are the main uses of 4,4-Dimethoxy-2-butanone (CAS: 5436-21-5)?

4,4-Dimethoxy-2-butanone (CAS: 5436-21-5) is primarily used in pharmaceutical research as an intermediate for synthesizing active pharmaceutical ingredients. It also finds applications in the fragrance and flavor industry due to its aromatic properties. Additionally, it serves as a solvent in organic chemistry and is utilized in research for developing new compounds. Its versatility makes it relevant in industrial and academic settings.

Is 4,4-Dimethoxy-2-butanone (CAS: 5436-21-5) safe?

4,4-Dimethoxy-2-butanone (CAS: 5436-21-5) is generally considered low in toxicity when handled properly. However, it may cause mild skin or eye irritation upon exposure. Safety measures include wearing personal protective equipment (PPE) like gloves and goggles, ensuring proper ventilation, and following standard chemical safety protocols. It is not classified as a hazardous substance under most regulations but should be managed according to OSHA and REACH guidelines.

How should 4,4-Dimethoxy-2-butanone (CAS: 5436-21-5) be stored?

4,4-Dimethoxy-2-butanone (CAS: 5436-21-5) should be stored in a cool, dry place away from direct light. It is best kept in sealed, airtight containers made of glass or HDPE to prevent degradation. Maintain storage conditions below 25°C and avoid exposure to moisture. Ensure proper labeling and store away from incompatible materials to preserve stability and safety.