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| CAS No.: | 136-53-8 |
|---|---|
| Name: | Ethylhexanoic acid zinc salt |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C8H15O2 1/2Zn |
| Molecular Weight: | 351.802 |
| Synonyms: | 2-Ethylhexanoic acid zinc salt;Hexanoicacid, 2-ethyl-, zinc salt (8CI,9CI);Nikka Octhix Zinc;Zinc 2-ethylhexanoate;Zinc2-ethylcaproate;Therm-Chek 705;Zinc 2-ethylhexoate;Zinc2-ethylhexylate;Zinc di(2-ethylhexanoate);Zinc di(2-ethylhexoate);Zinc ethylhexanoate;Zinc a-ethylhexanoate;Zinc(II) 2-ethylhexanoate;Zinc bis(2-ethylcaproate); |
| EINECS: | 205-251-1 |
| Density: | 1.17 g/cm3 |
| Melting Point: | 115-117oC |
| Boiling Point: | 228 °C at 760 mmHg |
| Flash Point: | 116.6 °C |
| Solubility: | Not miscible or difficult to mix in water. |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 1993 |
| PSA: | 52.60000 |
| LogP: | 4.41810 |
| Conditions | Yield |
|---|---|
| In toluene for 8h; Reflux; | 87% |
| Conditions | Yield |
|---|---|
| In acetone |
| Conditions | Yield |
|---|---|
| In not given react. zinc oxide and 2-ethylhexanoic acid in stoic. proportions; | |
| In benzene Reflux; Dean-Stark; |
| Conditions | Yield |
|---|---|
| In neat (no solvent) excess ZnO, repeated vibration milling; not isolated, detd. by IR spectroscopy; |
| Conditions | Yield |
|---|---|
| With zinc(II) oxide |
| Conditions | Yield |
|---|---|
| In toluene zinc 2-ethylhexanoate in toluene heated and stirred with zinc oxide for 3 h; product filtered, solvent removed; |
| Conditions | Yield |
|---|---|
| In diethyl ether soln. morpholine in ether treated with neutral zinc 2-ethylhexanoate inether at ambient temp. and kept at room temp. for 24 h; elem. anal.; |
| Conditions | Yield |
|---|---|
| In diethyl ether soln. n-dodecylamine in ether treated with neutral zinc 2-ethylhexanoate in ether at ambient temp. and kept at room temp. for 24 h; elem. anal.; |
| Conditions | Yield |
|---|---|
| In diethyl ether soln. cyclohexylamine in ether treated with neutral zinc 2-ethylhexanoate in ether at ambient temp. and kept at room temp. for 24 h; elem. anal.; |
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The Zinc bis(2-ethylhexanoate), with the CAS registry number 136-53-8, is also known as Ethylhexanoic acid zinc salt. It belongs to the product categories of Organic-Metal Salt; Metal Carboxylate. Its EINECS registry number is 205-251-1. This chemical's molecular formula is C8H15O2 1/2Zn and molecular weight is 175.90. What's more, its IUPAC name is called Zinc 2-ethylhexanoate. It should be stored in a cool, dry and well-ventilated place. It can be used as terebine.
Physical properties about Zinc bis(2-ethylhexanoate) are: (1)ACD/LogP: 2.719; (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): 1.00; (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 dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Zn+2].[O-]C(=O)C(CC)CCCC.[O-]C(=O)C(CC)CCCC
(2) InChI: InChI=1S/2C8H16O2.Zn/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: IFNXAMCERSVZCV-UHFFFAOYSA-L
