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Cerium(III) 2-ethylhexanoate

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Name

Cerium(III) 2-ethylhexanoate

EINECS 260-386-3
CAS No. 56797-01-4 Density 1.08 g/cm3
PSA 78.90000 LogP 6.63090
Solubility Insoluble in water. Melting Point >300 °C(lit.)
Formula C24H45CeO6 Boiling Point 228 °C at 760 mmHg
Molecular Weight 569.7265 Flash Point 116.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 56797-01-4 (Cerium(III) 2-ethylhexanoate) Hazard Symbols HarmfulXn
Synonyms

Hexanoic acid,2-ethyl-, cerium(3+) salt (9CI);Cerium tris(2-ethylhexanoate);Cerium(III)2-ethylhexanoate;Cerous 2-ethylhexoate;

 

Cerium(III) 2-ethylhexanoate Specification

The Hexanoic acid,2-ethyl-, cerium(3+) salt (3:1), with CAS registry number 56797-01-4, belongs to the following product categories: (1)Organic-metal salt; (2)Catalysis and Inorganic Chemistry Cerium; (3)CeriumMicro/Nanoelectronics; (4)Chemical Synthesis; (5)Solution Deposition Precursors. It has the systematic name of cerium(3+) tris(2-ethylhexanoate). And the chemical formula of this chemical is C24H45CeO6. What's more, its EINECS is 260-386-3.

Physical properties of Hexanoic acid,2-ethyl-, cerium(3+) salt (3:1): (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 123.98; (8)ACD/KOC (pH 7.4): 2.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 116.6 °C; (14)Enthalpy of Vaporization: 51.18 kJ/mol; (15)Boiling Point: 228 °C at 760 mmHg; (16)Vapour Pressure: 0.027 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Hexanoic acid,2-ethyl-, cerium(3+) salt (3:1) irritates to eyes, respiratory system and skin. And it is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ce+3].[O-]C(=O)C(CC)CCCC.[O-]C(=O)C(CC)CCCC.[O-]C(=O)C(CC)CCCC
(2)InChI: InChI=1/3C8H16O2.Ce/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
(3)InChIKey: GGVUYAXGAOIFIC-DFZHHIFOAW
(4)Std. InChI: InChI=1S/3C8H16O2.Ce/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
(5)Std. InChIKey: GGVUYAXGAOIFIC-UHFFFAOYSA-K

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