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51828-95-6

Basic Information
CAS No.: 51828-95-6
Name: Calcium 4-methyl-2-oxovalerate
Molecular Structure:
Molecular Structure of 51828-95-6 (Calcium 4-methyl-2-oxovalerate)
Formula: C6H10O3 . 1/2 Ca
Molecular Weight: 334.38
Synonyms: Pentanoicacid, 4-methyl-2-oxo-, calcium salt (9CI);Calcium a-ketoisocaproate;Calcium a-oxoisocaproate;a-Ketoisocaproic acid calcium salt;
EINECS: 257-457-6
Density: N/A
Melting Point: N/A
Boiling Point: 190.5 ºC at 760 mmHg
Flash Point: 83.3 ºC
Solubility: N/A
Appearance: White powder
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 22-24/25
Transport Information: N/A
PSA: 86.74000
LogP: 1.21820
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    Synonyms: CALCIUM ALPHA-KETOISOCAPROATE;CALCIUM 4-METHYL-2-OXOVALERATE HYDRATE;CALCIUM-4-METHYL-2-OXO-VALERATE;CALCIUM 2-KETO-4-METHYLVALERATE HYDRATE;KETO-ISO-CAPROATE CALCIUM SALT;KETO LEUCINE CALIUM SALT;2-KETOLEUCINE CALCIUM SALT;ALPHA-KETOLEUC

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    FOB Price:  USD $ 0.0-0.0/Kilogram

    Product name: 4-Methyl-2-Oxovaleric Acid Calcium Salt CAS No.:51828-95-6 Molecule Formula:C12H18CaO6 Molecule Weight:298.35 Purity: 99.0% Package: 25kg/drum Description: White crystalline powder Manufacture Standards:Enterprise Standa

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Specification

The Calcium 4-methyl-2-oxovalerate , with cas registry number of 51828-95-6, belongs to categories of Pharmaceutical Intermediates; Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds. Its EINECS registry number is 257-457-6. The IUPAC name is called calcium 4-methyl-2-oxopentanoate . And its systematic name is known as calcium bis(4-methyl-2-oxopentanoate) . When you are using this chemical, avoid contact with skin and eyes. And do not breathe dust.

Physical properties about this chemical are: (1) ACD/LogP: 0.17 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -2.63 ; (4) ACD/LogD (pH 7.4): -3.54 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 3 ; (10) #H bond donors: 1 ; (11) #Freely Rotating Bonds: 3 ; (12) Polar Surface Area: 54.37 Å2 ; (13) Flash Point: 83.3 °C; (14) Enthalpy of Vaporization: 47.04 kJ/mol ; (15) Boiling Point: 190.5 °C at 760 mmHg ; (16) Vapour Pressure: 0.239 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:[Ca+2].[O-]C(=O)C(=O)CC(C)C.[O-]C(=O)C(=O)CC(C)C;
(2) InChI:InChI=1/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2;
(3) InChIKey:WQZNGJIBHXYVNW-NUQVWONBAH