Dimethyl 3-oxopentanedioate

Basic Information

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CAS Number

1830-54-2

Molecular Formula

C7H10O5

Molecular Weight

174.15 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

16-17°C

Boiling Point

150°C/25mmHg

Water Solubility

approx. 120 g/L (20 ºC)

Refractive Index

n20/D 1.444(lit.)

SMILES

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COC(=O)CC(=O)CC(=O)OC

InChI

InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3

InChIKey

RNJOKCPFLQMDEC-UHFFFAOYSA-N

LogP

-0.31830000000000025

Topological Polar Surface Area

69.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

176

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Sensitiveness

thermolabile

Synonyms & References

English

Dimethyl 3-Ketoglutarate
DTXSID5062007
AKOS000120918
HY-W016801
J-650359
EINECS 217-385-8
CS-W017517
3-Oxoglutaric Acid Dimethyl Ester
NS00004154
Dimethyl-1,3-acetonedicarboxylate
NSC-4677
Acetone dicarboxylic acid, dimethyl ester
2,6-dimethyl-trans-2-heptenoyl-CoA
SY007431
Dimethyl-1,3-acetonedicarboxylate, Lonza quality, >=95.0% (GC)
PVX284APC6
EC 217-385-8
Dimethyl-3-oxoglutarate
Dimethyl .beta.-oxoglutarate
NSC4677
Dimethyl-1,3-acetonedicarboxylate, 96%
Dimethyl acetonedicarboxylate
Dimethyl 3-oxoglutarate
AI3-05633
AM20090069
dimethyl-1, 3-acetonedicarboxylate
STR00844
FT-0622919
UNII-PVX284APC6
P16743
3-Oxopentanedioic acid dimethyl ester

MDL Number

MFCD00008462

Customs Code

2918300090

FAQ

What is Dimethyl 3-oxopentanedioate (CAS: 1830-54-2)?

Dimethyl 3-oxopentanedioate (CAS: 1830-54-2) is a chemical compound with the formula C6H10O5. It is a white crystalline solid, commonly used as a precursor in organic synthesis. The compound features a dicarboxylic acid backbone with a ketone group at the third carbon, making it valuable in pharmaceutical and industrial applications. Its structural properties contribute to its reactivity and utility in chemical reactions.

What are the main uses of Dimethyl 3-oxopentanedioate (CAS: 1830-54-2)?

Dimethyl 3-oxopentanedioate (CAS: 1830-54-2) is primarily used in pharmaceuticals as a metabolic intermediate and in the synthesis of bioactive compounds. Industrially, it serves as a key chemical intermediate for producing polymers and specialty chemicals. In research, it is employed in studies related to enzyme mechanisms and metabolic pathways. Its versatility also makes it applicable in organic chemistry for functional group transformations.

Is Dimethyl 3-oxopentanedioate (CAS: 1830-54-2) safe?

Dimethyl 3-oxopentanedioate (CAS: 1830-54-2) is generally considered safe when handled properly. However, it may cause mild skin or eye irritation. Safety guidelines recommend using appropriate personal protective equipment (PPE), such as gloves and safety goggles, and ensuring adequate ventilation. It is not classified as highly toxic but should be stored and used in accordance with standard chemical safety protocols to minimize risks.

How should Dimethyl 3-oxopentanedioate (CAS: 1830-54-2) be stored?

Dimethyl 3-oxopentanedioate (CAS: 1830-54-2) should be stored in a cool, dry place, away from light and moisture. It is typically kept in airtight, dark-colored containers made of inert materials like glass or HDPE. Storage conditions should maintain temperatures between 2-8°C to ensure stability. Avoid exposure to incompatible substances and keep it in a well-ventilated area to maintain safety.