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CAS No.: | 1906-57-6 |
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Name: | potassium ethyl oxalate |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C4H5KO4 |
Molecular Weight: | 156.18 |
Synonyms: | Potassium ethyl oxalate;potassium 2-ethoxy-2-oxo-acetate;Oxalic acid, monoethyl ester, potassium salt;Ethanedioic acid, monoethyl ester, potassium salt;2-ethoxy-2-oxo-acetic acid; |
EINECS: | 217-606-8 |
Melting Point: | 220-223℃ |
Boiling Point: | 204.7 °C at 760 mmHg |
Flash Point: | 89.3 °C |
PSA: | 66.43000 |
LogP: | -1.70060 |
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The Ethyl potassium oxalate, with the CAS registry number 1906-57-6, is also known as potassium ethoxy(oxo)acetate. Its molecular formula is C4H5KO4 and its molecular weight is 157.186340. Additionally, its IUPAC name is potassium 2-ethoxy-2-oxoacetate.
Other characteristics of the Ethyl potassium oxalate can be summarised as followings: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.63; (4)ACD/LogD (pH 7.4): -3.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.6 Å2; (13)Flash Point: 89.3 °C; (14)Enthalpy of Vaporization: 48.59 kJ/mol; (15)Boiling Point: 204.7 °C at 760 mmHg; (16)Vapour Pressure: 0.106 mmHg at 25°C.
Uses of the Ethyl potassium oxalate: It could react with 1-bromo-3-phenyl-acetone to obtain the oxalic acid ethyl ester 2-oxo-3-phenyl-propyl ester. This reaction needs the solvent of H2O, dimethylsulfoxide. The yield is 72 %.
You can still convert the following datas into molecular structure:
1.SMILES: [K+].[O-]C(=O)C(=O)OCC
2.InChI: InChI=1/C4H6O4.K/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
3.InChIKey: RLPQQBNSTHRHEK-REWHXWOFAI