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Calcium 2-methoxyethoxide

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Name

Calcium 2-methoxyethoxide

EINECS 248-840-9
CAS No. 28099-67-4 Density 0.928g/cm3
PSA 36.92000 LogP 0.22740
Solubility Melting Point -85.1oC
Formula C6H14CaO4 Boiling Point 124.4°Cat760mmHg
Molecular Weight 190.25 Flash Point 46.1°C
Transport Information Appearance
Safety 16-26-36/37/39 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 28099-67-4 (Ethanol, 2-methoxy-,calcium salt (2:1)) Hazard Symbols
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;

 

Calcium 2-methoxyethoxide 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

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