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| CAS No.: | 22221-10-9 |
|---|---|
| Name: | COPPER(II) 2-ETHYLHEXANOATE |
| Molecular Structure: | |
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|
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| Formula: | C16H30CuO4 |
| Molecular Weight: | 349.95 |
| Synonyms: | Copper(2+) bis(2-ethylhexanoate); |
| EINECS: | 205-731-0 |
| Density: | 1.18[at 20℃] |
| Melting Point: | 252 °C (dec.)(lit.) |
| Boiling Point: | 228 °C at 760 mmHg |
| Flash Point: | 116.6 °C |
| Solubility: | 340mg/L at 19.1℃ |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 80.26000 |
| LogP: | 1.90290 |
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Specification
The Hexanoic acid,2-ethyl-, copper salt (2:1), with the CAS registry number of 22221-10-9, is also known as Copper(2+) bis(2-ethylhexanoate). It belongs to the product category of Organic-metal salt. Its EINECS registry number is 205-731-0. This chemical's molecular formula is C16H30CuO4 and molecular weight is 349.95. What's more, its systematic name is Copper(2+) bis(2-ethylhexanoate).
Physical properties about the Hexanoic acid,2-ethyl-, copper salt (2:1) are: (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:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: [Cu+2].[O-]C(=O)C(CC)CCCC.[O-]C(=O)C(CC)CCCC
(2) InChI: InChI=1/2C8H16O2.Cu/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
(3) InChIKey: SEKCXMNFUDONGJ-NUQVWONBAP