Butanoate, 3-methyl-2-oxo-, calcium salt (2:1)

Basic Information

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CAS Number

51828-94-5

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

>300°C

Boiling Point

170.2 oC at 760 mmHg

Density

1.125

Flash Point

71 oC

SMILES

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

InChI

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

InChIKey

BTKIGVWWAUAIOG-UHFFFAOYSA-L

LogP

0.43800

Complexity

109

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-Methyl-2-oxobuttersaeure calciumsalz
calcium3-methyl-2-oxobutanoate
UNII-00T4085CBX
CALCIUM .ALPHA.-KETOISOVALERATE
calcium bis(3-methyl-2-oxobutanoate)
BUTANOIC ACID, 3-METHYL-2-OXO-, CALCIUM SALT (2:1)
calcium 3-methyl-2-oxobutanoate
E78993
Q27231376
3-Methyl-2-oxobutyric Acid Calcium Salt
(RS)-3-METHYL-2-OXOBUTYRIC ACID CALCIUM [WHO-DD]
alpha-Ketoisovaleric acid calcium salt
SCHEMBL7647464
MFCD00002580
EINECS 257-456-0
calcium 3-methyl-2-oxidanylidene-butanoate
.ALPHA.-KETOVALINE CALCIUM SALT
Butanoic acid, 3-methyl-2-oxo-, calcium salt
K0021
calcium;3-methyl-2-oxobutanoate
.ALPHA.-KETOISOVALERIC ACID CALCIUM SALT
DTXSID60199787
(RS)-3-METHYL-2-OXOBUTYRIC ACID CALCIUM
C10H14CaO6
00T4085CBX
AKOS015965075
Calcium 3-methyl-2-oxobutyrate (1:2)
AKOS015905595
FT-0640031
Calcium 3-Methyl-2-oxobutyrate
W-105864

MDL Number

MFCD00002580

Customs Code

2918300090

FAQ

What is Butanoate, 3-methyl-2-oxo-, calcium salt (2:1) (CAS: 51828-94-5)?

Butanoate, 3-methyl-2-oxo-, calcium salt (2:1) is an organic compound with the CAS number 51828-94-5. It is a calcium salt derived from the 3-methyl-2-oxobutanoate anion. The chemical formula is Ca(C7H11O3)2. It is a white solid that is sparingly soluble in water and has a slightly basic pH.

What are the main uses of Butanoate, 3-methyl-2-oxo-, calcium salt (2:1) (CAS: 51828-94-5)?

Butanoate, 3-methyl-2-oxo-, calcium salt (2:1) is primarily used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It is also used in the food industry as a flavor enhancer and in research for its specific chemical properties.

Is Butanoate, 3-methyl-2-oxo-, calcium salt (2:1) (CAS: 51828-94-5) safe?

Butanoate, 3-methyl-2-oxo-, calcium salt (2:1) is considered generally safe for industrial and pharmaceutical use. However, it should be handled with care due to its basic nature. It is not considered toxic but may cause skin irritation if not handled properly. Protective gloves and goggles are recommended during handling. Storage should be in a cool, dry place away from direct sunlight.

How should Butanoate, 3-methyl-2-oxo-, calcium salt (2:1) (CAS: 51828-94-5) be stored?

Butanoate, 3-methyl-2-oxo-, calcium salt (2:1) should be stored in a cool, dry place at room temperature (15-25°C) to ensure stability. It should be kept away from direct sunlight and moisture. The container should be tightly sealed to prevent moisture absorption and deterioration. Avoid storing near incompatible materials such as acids or oxidizing agents.