Calcium alpha-ketovaline supplier

Name
Calcium alpha-ketovaline
EINECS 257-456-0
CAS No. 51828-94-5
Density
Solubility
Melting Point
Formula C₅H₈O₃·1/2Ca
Boiling Point 170.2 °C at 760 mmHg
Molecular Weight 272.31
Flash Point 71 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanoicacid, 3-methyl-2-oxo-, calcium salt (9CI);Calcium a-ketoisovalerate;a-Ketoisovaleric acid calcium salt;a-Ketovaline calcium salt;Calcium 3-methyl-2-oxobutyrate (1:2);3-Methyl-2-oxobuttersaeure calciumsalz;
PSA 86.74000
LogP 0.43800

Calcium alpha-ketovaline Specification

The Butanoic acid,3-methyl-2-oxo-, calcium salt (2:1), with the CAS registry number 51828-94-5, is also known as alpha-Ketoisovaleric acid calcium salt. It belongs to the product categories of Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds. Its EINECS number is 257-456-0. This chemical's molecular formula is C₅H₈O₃·1/2Ca and molecular weight is 272.31. What's more, its systematic name is Calcium 3-methyl-2-oxobutyrate (1:2).

Physical properties of Butanoic acid,3-methyl-2-oxo-, calcium salt (2:1) are: (1)ACD/LogP: -0.361; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.23; (4)ACD/LogD (pH 7.4): -4.08; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 86.74 Å²; (13)Flash Point: 71 °C; (14)Enthalpy of Vaporization: 44.83 kJ/mol; (15)Boiling Point: 170.2 °C at 760 mmHg; (16)Vapour Pressure: 0.732 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].O=C([O-])C(=O)C(C)C.[O-]C(=O)C(=O)C(C)C
(2)Std. InChI: InChI=1S/2C5H8O3.Ca/c2*1-3(2)4(6)5(7)8;/h2*3H,1-2H3,(H,7,8);/q;;+2/p-2
(3)Std. InChIKey: IMZGMVJQWNJKCI-UHFFFAOYSA-L

Product Name

Calcium alpha-ketovaline

Calcium alpha-ketovaline Specification

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