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| CAS No.: | 16782-08-4 |
|---|---|
| Name: | P-HYDROXYBENZOIC ACID POTASSIUM SALT |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H5KO3 |
| Molecular Weight: | 176.213 |
| Synonyms: | Benzoicacid, 4-hydroxy-, monopotassium salt (9CI);Benzoic acid, p-hydroxy-,monopotassium salt (8CI);4-Hydroxybenzoic acid potassium salt;Monopotassiump-hydroxybenzoate;Potassium p-hydroxybenzoate;p-Hydroxybenzoic acid monopotassium salt;p-Hydroxybenzoic acid potassium salt;Potassium 4-hydroxybenzoate; |
| EINECS: | 240-830-2 |
| Density: | 1.375g/cm3 |
| Melting Point: | 214.5oC |
| Boiling Point: | 336.2 °C at 760 mmHg |
| Flash Point: | 171.3 °C |
| PSA: | 60.36000 |
| LogP: | -0.24430 |
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Specification
The Benzoic acid,4-hydroxy-, potassium salt (1:1), with the CAS registry number 16782-08-4, is also known as Potassium p-hydroxybenzoate. This chemical's molecular formula is C7H5KO3 and molecular weight is 176.21. What's more, its systematic name is Potassium 4-hydroxybenzoate and its EINECS number is 240-830-2. Besides, it belongs to the product categories of Aromatic Esters; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.
Physical properties of Benzoic acid,4-hydroxy-, potassium salt (1:1) are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): -1.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53 Å2; (13)Flash Point: 171.3 °C; (14)Enthalpy of Vaporization: 61.14 kJ/mol; (15)Boiling Point: 336.2 °C at 760 mmHg; (16)Vapour Pressure: 4.48E-05 mmHg at 25°C.
Uses of Benzoic acid,4-hydroxy-, potassium salt (1:1): it can be used to produce 4-Hydroxybenzoesaeure-2-oxoheptylester by heating. It will need reagent tetrabutylammonium bromide and solvent benzene with the reaction time of 3 hours. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])O.[K+]
(2)InChI: InChI=1S/C7H6O3.K/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
(3)InChIKey: DKGFIVSGQRBSOG-UHFFFAOYSA-M