Calcium bis(4-oxopentanoate)

Basic Information

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CAS Number

591-64-0

Molecular Formula

C10H14CaO6

Molecular Weight

270.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

123 °C

Water Solubility

almost transparency

SMILES

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CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2

InChIKey

APKDPOQXVKRLEP-UHFFFAOYSA-L

LogP

-1.78900

Complexity

101

Synonyms & References

English

SCHEMBL116039
FT-0632457
Calcium pharmacon
591-64-0
Levulin calcid
LLQ966USIL
Mil-U-cal
CALCIUM LEVULINATE
Calcium levulinate anhydrous
AI3-04042
4-Oxovaleric Acid Calcium Salt
3-Acetylpropionic Acid Calcium Salt
calcium 4-oxidanylidenepentanoate
Laevucalcin
SY107955
NS00079943
L0043
CS-0187336
CALCIUM LEVULINATE [MI]
Calcium bis(4-oxovalerate)
Calcium 4-oxopentanoate
(2-ETHYL-1H-BENZIMIDAZOL-1-YL)ACETICACID
Pentanoic acid, 4-oxo-, calcium salt
DB13800
calcium laevulinate
Pentanoic acid, 4-oxo-, calcium salt (2:1)
MFCD00045959
DTXSID8060454
Calcium levulinate dihydrate
Calcium-diasporal
Q27155578

MDL Number

MFCD00045959

FAQ

What are the physical and chemical properties of Calcium bis(4-oxopentanoate) (CAS: 591-64-0)?

Calcium bis(4-oxopentanoate) is a white crystalline solid with a molecular weight of approximately 282.24 g/mol. It is slightly soluble in water and nonpolar organic solvents. The compound is moderately reactive towards acids and bases. It exhibits good thermal stability under normal conditions but should be handled with care in high-temperature environments.

How is Calcium bis(4-oxopentanoate) (CAS: 591-64-0) typically synthesized?

Calcium bis(4-oxopentanoate) is synthesized by reacting calcium carbonate with oxopentanoic acid. The reaction typically occurs in a solvent such as methanol or ethanol under mild conditions. The process requires careful control of pH and temperature to ensure high selectivity and yield. Common catalysts include organic acids or bases.

What industries use Calcium bis(4-oxopentanoate) (CAS: 591-64-0)?

Calcium bis(4-oxopentanoate) is primarily used in pharmaceuticals for the encapsulation of active ingredients, in polymers as a functional additive, and in sensors for its catalytic properties. It is also utilized in the synthesis of semiconductors due to its unique reactivity and stability.

What precautions should be taken when handling Calcium bis(4-oxopentanoate) (CAS: 591-64-0)?

When handling Calcium bis(4-oxopentanoate), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a cool, dry place away from heat sources. In case of a spill, it should be cleaned up using appropriate absorbent materials and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.