Methyl 2-ethylbutanoate

Basic Information

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CAS Number

816-11-5

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

-71°C (estimate)

Boiling Point

140.89°C (estimate)

Density

0.8795

Refractive Index

1.4067

SMILES

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CCC(CC)C(=O)OC

InChI

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

InChIKey

UNEAEGWIVFZPFI-UHFFFAOYSA-N

LogP

1.5956000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

84.9

Synonyms & References

English

816-11-5
AKOS009513280
Methyl 2-ethylbutyrate
CM-0016
TN25L56YL2
2-ethylbutanoic acid methyl ester
E76971
Butyric acid, 2-ethyl-, methyl ester
NSC-509555
MFCD00225587
Butanoic acid, 2-ethyl-, methyl ester
DTXSID40231215
Methyl2-ethylbutanoate
A841597
SCHEMBL184812
NSC 509555
CS-0161292
Q63395261
EINECS 212-428-7
2-ethyl-butyric acid methyl ester
2-Ethylbutyric acid, methyl ester
NS00038143
NSC509555
Methyl 2-ethylbutanoate
Butanoic acid,2-ethyl-, methyl ester
methyl 2-ethylbutyrate

MDL Number

MFCD00225587

FAQ

What is Methyl 2-ethylbutanoate (CAS: 816-11-5)?

Methyl 2-ethylbutanoate is an ester with the chemical formula C7H14O2. It is a colorless to pale yellow liquid with a fruity, floral aroma. It is commonly used in the fragrance and flavor industry and as a solvent in various applications.

What are the main uses of Methyl 2-ethylbutanoate (CAS: 816-11-5)?

Methyl 2-ethylbutanoate is widely used in the fragrance and flavor industry to impart fruity and floral notes in perfumes, soaps, and cosmetics. It is also utilized in the food industry as a flavoring agent and in the chemical industry as a solvent and intermediate in the synthesis of other compounds.

Is Methyl 2-ethylbutanoate (CAS: 816-11-5) safe?

Methyl 2-ethylbutanoate is generally considered safe for its intended use, but it should be handled with care. It is classified as an irritant and may cause skin and eye irritation. Proper handling, including the use of appropriate personal protective equipment (PPE) such as gloves and goggles, is recommended.

How should Methyl 2-ethylbutanoate (CAS: 816-11-5) be stored?

Methyl 2-ethylbutanoate should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a sealed, airtight container to prevent degradation. The storage temperature should not exceed 25°C. Avoid contact with air and moisture to maintain its stability.