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| CAS No.: | 79261-49-7 |
|---|---|
| Name: | potassium 2-(4-isobutylphenyl)propionate |
| Molecular Structure: | |
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| Formula: | > C13H18 O2 . K |
| Molecular Weight: | 244.37118 |
| Synonyms: | Benzeneaceticacid, a-methyl-4-(2-methylpropyl)-,potassium salt (9CI);Ibuprofen potassium;Ibuprofen potassium salt;Potassiumibuprofen; |
| EINECS: | 279-122-3 |
| Boiling Point: | 319.6°C at 760 mmHg |
| Flash Point: | 216.7 °C |
| PSA: | 40.13000 |
| LogP: | 1.73850 |
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- Total:14 Page 1 of 1 1
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Specification
The Benzeneacetic acid, a-methyl-4-(2-methylpropyl)-,potassium salt (1:1) , with the CAS register number 79261-49-7, has other names as potassium 2-(4-isobutylphenyl)propionate ; α-Methyl-4-(2-methylpropyl)benzeneacetic acid potassium salt ; Einecs 279-122-3 . It has the formular structure C13-H18-O2.K.
The physical properties are as the followings: (1)ACD/BCF (pH 5.5): 29.98; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 190.44; (4)ACD/KOC (pH 7.4): 3.03; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 37.3; (9)Flash Point: 216.7 °C; (10)Enthalpy of Vaporization: 59.25 kJ/mol; (11)Boiling Point: 319.6 °C at 760 mmHg; (12)Vapour Pressure: 0.000139 mmHg at 25°C.
In addition, you could refer to the following data information into the molecular structure:
SMILES:[K+].[O-]C(=O)C(c1ccc(cc1)CC(C)C)C
InChI:InChI=1/C13H18O2.K/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
InChIKey:XJELUCTZEAQYGF-REWHXWOFAB
As for its market information, you could find many suppliers in China, such as Linkwell Rubber Chemicals Co., Ltd , Nanjing T.H.Chemical Co., Ltd , and Qingdao Huachen Chemical Corporation.