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| CAS No.: | 3164-85-0 |
|---|---|
| Name: | Potassium 2-ethylhexanoate |
| Molecular Structure: | |
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| Formula: | C8H16O2K |
| Molecular Weight: | 182.30 |
| Synonyms: | Hexanoicacid, 2-ethyl-, potassium salt (8CI,9CI);2-Ethylhexanoic acid potassium salt;B 15G;Dabco K 15;Dabco K 5;Dabco T 45;Hex-Cem K 15;Hexcem 977;NUSAK;Nikka Octhix Potassium;Pelcat 9540;Pelron 9540;Potassium2-ethylcapronate;Potassium Hex-Cem;Pucat 15G;T45;T 45 (catalyst);Tegokat K 15; |
| EINECS: | 221-625-7 |
| Density: | 1.120 |
| Melting Point: | 66-68°C |
| Boiling Point: | 228 °C at 760 mmHg |
| Flash Point: | 116.6 °C |
| Solubility: | insoluble in water |
| Appearance: | Colourless viscous liquid |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 40.13000 |
| LogP: | 0.95270 |
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Specification
Both the IUPAC name and product name of this substance are the same which is called Potassium 2-ethylhexanoate. It is also known as 2-Ethylhexanoic acid, potassium salt. In addition, it is an organic compound with the formula C8H16O2K. Its EINECS registry number is 221-625-7. Its CAS registry number is 3164-85-0. The substance should be sealed and stored in cool and dry place.
Physical properties of Potassium 2-ethylhexanoate: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 11.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 123.98; (7)ACD/KOC (pH 7.4): 2.01; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 116.6 °C; (12)Enthalpy of Vaporization: 51.18 kJ/mol; (13)Boiling Point: 228 °C at 760 mmHg; (14)Vapour Pressure: 0.027 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(CC)C(=O)[O-].[K+]
(2)InChI: InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
(3)InChIKey: ZUFQCVZBBNZMKD-UHFFFAOYSA-M