Methyl 2-methylbutanoate | CAS No. 868-57-5

Q: What is Methyl 2-methylbutanoate (CAS: 868-57-5)?

Methyl 2-methylbutanoate is an organic compound with the chemical formula CH3C(CH3)2CH2COOCH3. It is a colorless liquid with a fruity, almond-like odor. This compound is used in the flavor and fragrance industry due to its distinctive aroma and as a solvent in some applications.

Q: What are the main uses of Methyl 2-methylbutanoate (CAS: 868-57-5)?

Methyl 2-methylbutanoate is primarily used in the flavor and fragrance industry to create artificial almond and fruit flavors. It is also used as a solvent in some chemical processes and as a fragrance component in perfumes. Additionally, it can be used in the research and development of new flavor compounds.

Q: Is Methyl 2-methylbutanoate (CAS: 868-57-5) safe?

Methyl 2-methylbutanoate is generally considered safe for industrial use when handled appropriately. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Exposure to high concentrations can cause irritation, so it is crucial to avoid contact with skin and eyes.

Q: How should Methyl 2-methylbutanoate (CAS: 868-57-5) be stored?

Methyl 2-methylbutanoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent evaporation and contamination. The storage area should have good ventilation to minimize the risk of flammable vapor accumulation. Avoid storing it near incompatible substances such as strong oxidizers or acidic materials.

Methyl 2-methylbutanoate

Basic Information

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CAS Number

868-57-5

Molecular Formula

C6H12O2

Molecular Weight

116.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-91°C (estimate)

Boiling Point

115 °C

Density

0.88 g/mL at 25 °C

Refractive Index

n20/D 1.393(lit.)

SMILES

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CCC(C)C(=O)OC

InChI

InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3

InChIKey

OCWLYWIFNDCWRZ-UHFFFAOYSA-N

LogP

1.2055

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

78.6

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

methyl 2-methylbutyrate
2-Methylbutyric acid methyl ester
DL-Methylbutyric acid methyl ester
Methyl DL-2-Methylbutyrate
DL-2-Methylbutyric Acid Methyl Ester
<small>DL<
2-Methylbutanoic acid methyl ester

MDL Number

MFCD00009335

Customs Code

2915600000

FAQ

What is Methyl 2-methylbutanoate (CAS: 868-57-5)?

Methyl 2-methylbutanoate is an organic compound with the chemical formula CH3C(CH3)2CH2COOCH3. It is a colorless liquid with a fruity, almond-like odor. This compound is used in the flavor and fragrance industry due to its distinctive aroma and as a solvent in some applications.

What are the main uses of Methyl 2-methylbutanoate (CAS: 868-57-5)?

Methyl 2-methylbutanoate is primarily used in the flavor and fragrance industry to create artificial almond and fruit flavors. It is also used as a solvent in some chemical processes and as a fragrance component in perfumes. Additionally, it can be used in the research and development of new flavor compounds.

Is Methyl 2-methylbutanoate (CAS: 868-57-5) safe?

Methyl 2-methylbutanoate is generally considered safe for industrial use when handled appropriately. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Exposure to high concentrations can cause irritation, so it is crucial to avoid contact with skin and eyes.

How should Methyl 2-methylbutanoate (CAS: 868-57-5) be stored?

Methyl 2-methylbutanoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent evaporation and contamination. The storage area should have good ventilation to minimize the risk of flammable vapor accumulation. Avoid storing it near incompatible substances such as strong oxidizers or acidic materials.