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| CAS No.: | 28099-67-4 |
|---|---|
| Name: | CALCIUM METHOXYETHOXIDE |
| Molecular Structure: | |
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| Formula: | C6H14CaO4 |
| Molecular Weight: | 190.25 |
| Synonyms: | Calcium,bis(2-methoxyethoxy)- (7CI);Ethanol, 2-methoxy-, calcium salt (8CI,9CI);Bis(2-methoxyethoxy)calcium;Calcium 2-methoxyethoxide;Calciumdi(2-methoxyethoxide);Calcium methoxyethoxide; |
| EINECS: | 248-840-9 |
| Density: | 0.928g/cm3 |
| Melting Point: | -85.1oC |
| Boiling Point: | 124.4°Cat760mmHg |
| Flash Point: | 46.1°C |
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39 |
| PSA: | 36.92000 |
| LogP: | 0.22740 |
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Specification
The Calcium 2-methoxyethoxide with the cas number 28099-67-4 is also called Ethanol, 2-methoxy-,calcium salt (2:1). The systematic name is calcium bis(2-methoxyethanolate). Its EINECS registry number is 248-840-9. The molecular formula is C6H14CaO4.
The properties of the chemical are: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.77; (8)ACD/KOC (pH 7.4): 8.77; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Enthalpy of Vaporization: 37.54 kJ/mol; (14)Vapour Pressure: 5.98 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally, you should keep this chemical away from sources of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]CCOC.[O-]CCOC
(2)InChI: InChI=1/2C3H7O2.Ca/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2
(3)InChIKey: OFPISIUOJVZBMS-UHFFFAOYAF