Ethyl 2-methylbutanoate

Basic Information

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CAS Number

7452-79-1

Molecular Formula

C7H14O2

Molecular Weight

130.19 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

-93.23°C (estimate)

Boiling Point

133°C

Density

0.865 g/mL at 25 °C

Refractive Index

n20/D 1.397(lit.)

SMILES

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CCC(C)C(=O)OCC

InChI

InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3

InChIKey

HCRBXQFHJMCTLF-UHFFFAOYSA-N

LogP

1.5956000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

88.9

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

Ethyl 2-methylbutyrate
Ethyl 2-methylbutanoate
2-Methylbutyric acid ethyl ester
NATURAL ETHYL 2-METHYLBUTYRATE
Ethyl DL-2-Methylbutyrate
DL-2-Methylbutyric Acid Ethyl Ester
2-methyl-butanoicaciethylester
2-methyl-butyric acid ethyl ester
Ethyl 2-methylbutyra
Ethyl-2-methylbutyrat
FEMA 2443
RARECHEM AL BI 0133

MDL Number

MFCD00012217

Customs Code

2915600000

FAQ

What is Ethyl 2-methylbutanoate (CAS: 7452-79-1)?

Ethyl 2-methylbutanoate (CAS: 7452-79-1) is a chemical compound with the formula C6H12O2. It is a colorless, volatile liquid with a fruity aroma, commonly used in fragrance and flavoring applications. As an ester, it exhibits typical properties such as solubility in organic solvents and a relatively low boiling point, making it versatile in various industries.

What are the main uses of Ethyl 2-methylbutanoate (CAS: 7452-79-1)?

Ethyl 2-methylbutanoate (CAS: 7452-79-1) is primarily used as a flavoring agent in food and beverages, imparting notes of apple or banana. It also serves as a solvent in pharmaceuticals and industrial processes, and is employed in research for organic synthesis. Additionally, it is used in the fragrance industry to create synthetic perfumes and scents.

Is Ethyl 2-methylbutanoate (CAS: 7452-79-1) safe?

Ethyl 2-methylbutanoate (CAS: 7452-79-1) is generally considered safe when handled properly. However, it may cause skin or eye irritation upon contact, and inhalation can lead to respiratory discomfort. Safety standards recommend using appropriate protective equipment, ensuring good ventilation, and avoiding ingestion. Always follow OSHA guidelines for chemical handling to minimize risks.

How should Ethyl 2-methylbutanoate (CAS: 7452-79-1) be stored?

Ethyl 2-methylbutanoate (CAS: 7452-79-1) should be stored in a cool, dry, and well-ventilated area, away from heat sources and direct sunlight. Keep it in sealed, airtight containers to prevent evaporation and contamination. Ensure storage in a fire-safe location, as it is a flammable liquid, and avoid exposure to incompatible substances like strong oxidizers or acids to maintain stability.