Diethyl 3-oxopentanedioate

Basic Information

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CAS Number

105-50-0

Molecular Formula

C9H14O5

Molecular Weight

202.21 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

Boiling Point

250°C

Water Solubility

10 g/L (20 ºC)

Refractive Index

n20/D 1.440(lit.)

SMILES

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CCOC(=O)CC(=O)CC(=O)OCC

InChI

InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3

InChIKey

ZSANYRMTSBBUCA-UHFFFAOYSA-N

LogP

0.4619

Topological Polar Surface Area

69.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

199

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Sensitiveness

Moisture Sensitive

Synonyms & References

English

A0055
3-oxo-glutaric acid diethyl ester
SB67313
105-50-0
Diethyl 1,3-acetonedicarboxylate, 96%
3-Oxoglutaric Acid Diethyl Ester
3-Oxoglutaric acid, diethyl ester
J-001438
diethyl acetone-dicarboxylate
Diethyl 1,3-acetone dicarboxylate
Diethyl acetonedicarboxylate
DTXSID1059317
diethyl-3-oxoglutarate
STR00630
Diethyl .beta.-oxoglutarate
Diethyl1,3-Acetonedicarboxylate
Diethyl acetonedicarboxylate (VAN)
1,3-Acetonedicarboxylic Acid Diethyl Ester
DIETHYL 2-OXOPROPANE-1,3-DICARBOXYLATE
Ethyl 3-oxoglutarate
1,5-diethyl 3-oxopentanedioate
Z362599474
2,2-diethyl-3-oxopentanedioate
Diethyl 3-oxoglutarate
diethyl-2-oxopropane-1
diethyl 3-ketoglutarate
AC-3562
FT-0624813
3-Oxopentanedioic acid, diethyl ester
NSC-9013
SY005414

MDL Number

MFCD00009200

Customs Code

2942000000

FAQ

What is Diethyl 3-oxopentanedioate (CAS: 105-50-0)?

Diethyl 3-oxopentanedioate (CAS: 105-50-0) is a chemical compound with the formula C8H14O4. It is a colorless liquid with a faint odor, commonly used as a plasticizer and in organic synthesis. The compound exhibits stability under normal conditions and is characterized by its ester functionality, making it valuable in various industrial and research applications.

What are the main uses of Diethyl 3-oxopentanedioate (CAS: 105-50-0)?

Diethyl 3-oxopentanedioate (CAS: 105-50-0) is primarily used as a plasticizer in polymer manufacturing, enhancing flexibility in materials like polyvinyl chloride. It also serves in pharmaceuticals for drug formulation, in the food industry as a flavor enhancer, and in research for synthesizing other organic compounds. Its versatility supports applications in fragrance, coatings, and chemical intermediates.

Is Diethyl 3-oxopentanedioate (CAS: 105-50-0) safe?

Diethyl 3-oxopentanedioate (CAS: 105-50-0) is generally considered safe when handled according to standard laboratory practices. It is not classified as a hazardous substance under major safety guidelines, but precautions such as avoiding skin contact, using proper ventilation, and wearing protective gloves are recommended. Always follow safety data sheet (SDS) instructions for safe handling.

How should Diethyl 3-oxopentanedioate (CAS: 105-50-0) be stored?

Diethyl 3-oxopentanedioate (CAS: 105-50-0) should be stored in a tightly sealed, dark container in a cool, dry place (ideally below 25°C). It is stable under normal storage conditions but should be protected from moisture, heat, and direct light to maintain its properties. Ensure storage in a well-ventilated area away from incompatible materials.