Ethyl 4-methyl-3-oxopentanoate

Basic Information

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CAS Number

7152-15-0

Molecular Formula

C8H14O3

Molecular Weight

158.2 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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

−9 °C

Boiling Point

90°C/15mmHg

Density

0.98 g/mL at 25 °C

Solubility

Soluble in chloroform and methanol.

Refractive Index

n20/D 1.425(lit.)

SMILES

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

InChI

InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3

InChIKey

XCLDSQRVMMXWMS-UHFFFAOYSA-N

LogP

1.1647

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

149

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

Sensitiveness

photosensitive

Synonyms & References

English

AKOS005206743
Ethyl 4-Methyl-3-oxovalerate
ethyl 2-(isobutyryl)acetate
J-521260
EN300-67503
M3WMK56MNB
DTXSID00221758
ethyl 3-isopropyl-3-oxopropanoate
Ethylisobutyrylacetate
Ethyl isobutyrylacetate, purum, >=95.0% (GC)
NCIOpen2_003819
Ethyl isobutyrylacetate, 95%
ethyl 3-isopropyl-3-oxo-propionate
3-keto-4-methyl valeric acid ethyl ester
NS00037236
NSC-62029
MFCD00009198
4-Methyl-3-oxovaleric Acid Ethyl Ester
Ethyl .alpha. -isobutyroylacetate
E0882
UNII-M3WMK56MNB
DS-1297
InChI=1/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H
FT-0600784
ETHYL-3-OXO-4-METHYLPENTANOATE
4-methyl-3-oxo-pentanoic acid ethyl ester
ethyl isobutyryl acetate
Valeric acid, 4-methyl-3-oxo-, ethyl ester
ethyl 2-isobutyrylacetate
7152-15-0
Ethyl 4-methyl-3-oxopentanoate

MDL Number

MFCD00009198

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Ethyl 4-methyl-3-oxopentanoate (CAS: 7152-15-0)?

Ethyl 4-methyl-3-oxopentanoate (CAS: 7152-15-0) is a colorless to light yellow liquid with a molecular weight of approximately 134.23 g/mol. It has a pungent odor and is moderately soluble in water but very soluble in organic solvents. The compound is relatively stable under normal conditions but may react with strong bases or acids. It is used in the production of fragrances and flavorings due to its pleasant scent.

How is Ethyl 4-methyl-3-oxopentanoate (CAS: 7152-15-0) typically synthesized?

Ethyl 4-methyl-3-oxopentanoate (CAS: 7152-15-0) is typically synthesized through a condensation reaction between methyl acetate and butyraldehyde in the presence of a strong acid catalyst, such as concentrated sulfuric acid. The reaction is carried out under reflux conditions, and the product is purified by distillation. This method provides good yield and selectivity.

What industries use Ethyl 4-methyl-3-oxopentanoate (CAS: 7152-15-0)?

Ethyl 4-methyl-3-oxopentanoate (CAS: 7152-15-0) is widely used in the fragrance and flavor industry due to its pleasant scent. It is also used in the polymer industry as a monomer for the synthesis of certain types of plastics. Additionally, it finds applications in the food, cosmetic, and textile industries. Its use in pharmaceuticals is less common but it can be used as a starting material for the synthesis of certain chemicals.

What precautions should be taken when handling Ethyl 4-methyl-3-oxopentanoate (CAS: 7152-15-0)?

Proper personal protective equipment (PPE) should be worn when handling Ethyl 4-methyl-3-oxopentanoate (CAS: 7152-15-0), including gloves, laboratory coat, and safety goggles. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbent materials. In case of skin contact, the affected area should be washed thoroughly with water. For more detailed safety information, refer to the safety data sheet (SDS).