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| CAS No.: | 4454-16-4 |
|---|---|
| Name: | NICKEL 2-ETHYLHEXANOATE |
| Molecular Structure: | |
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|
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| Formula: | C16H30NiO4 |
| Molecular Weight: | 345.1 |
| Synonyms: | Hexanoicacid, 2-ethyl-, nickel(2+) salt (8CI,9CI);NUSA Ni;Nickel (II) ethylhexanoate;Nickel 2-ethylhexanoate;Nickel 2-ethylhexoate;Nickel bis(2-ethylhexanoate);Nickel(II) 2-ethylhexanoate; |
| EINECS: | 224-699-9 |
| Density: | 0.96 g/mL at 25 °C(lit.) |
| Boiling Point: | 228 °C at 760 mmHg |
| Flash Point: | 116.6 °C |
| Solubility: | 110mg/L at 30℃ |
| Hazard Symbols: |
 T
|
| Risk Codes: | 45-20/21/22-36/37/38 |
| Safety: | 53-26-36/37/39-45 |
| Transport Information: | UN 2810 |
| PSA: | 52.60000 |
| LogP: | 4.42060 |
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Specification
The Hexanoic acid, 2-ethyl-, nickel(2+) salt (2:1), with the CAS registry number of 4454-16-4, is also known as Nickel (II) ethylhexanoate. It belongs to the product category of Organic-metal Salt. Its EINECS registry number is 224-699-9. This chemical's molecular formula is C16H30NiO4 and molecular weight is 345.1. What's more, its IUPAC name is 2-Ethylhexanoate; nickel(2+). In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should be avoided contact with light.
Physical properties about Hexanoic acid, 2-ethyl-, nickel(2+) 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. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: [Ni+2].[O-]C(=O)C(CC)CCCC.[O-]C(=O)C(CC)CCCC
(2) InChI: InChI=1/2C8H16O2.Ni/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: UVPKUTPZWFHAHY-NUQVWONBAB