Basic Information | Post buying leads | Suppliers |
Name |
Calcium 4-methyl-2-oxovalerate |
EINECS | 257-457-6 |
CAS No. | 51828-95-6 | Density | N/A |
PSA | 86.74000 | LogP | 1.21820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H10O3 . 1/2 Ca | Boiling Point | 190.5 ºC at 760 mmHg |
Molecular Weight | 334.38 | Flash Point | 83.3 ºC |
Transport Information | N/A | Appearance | White powder |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pentanoicacid, 4-methyl-2-oxo-, calcium salt (9CI);Calcium a-ketoisocaproate;Calcium a-oxoisocaproate;a-Ketoisocaproic acid calcium salt; |
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