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Physical & Chemical properties

Dissociation constant

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Description of key information

In accordance with section 7.16 of Column 2 of Annex IX, the study does not need to be conducted if it is scientifically not possible to perform the test, for instance if the analytical method is not sensitive enough.  
Two studies were carried out in accordance with OECD guideline 112 using the titration method and the spectrophotometric method. Neither was successful at determining the dissociation constant therefore it is considered justified to omit the study as it is scientifically not possible to perform the test.

Key value for chemical safety assessment

Additional information

The dissociation constant for p-Cumylphenol was investigated using potentiometric titration in a GLP-compliant study performed in accordance with OECD Test Guideline 112 (Springborn Smithers Laboratories, 2009).

The pKa value of p-Cumylphenol could not be determined by potentiometric titration. Potentiometric titration of test solutions at approximately 0.090 g/L p-Cumylphenol in CO2-free water with 0.1 N sodium hydroxide failed due to precipitation of the test substance. Furthermore, potentiometric titration of test solutions at approximately 0.200 g/L in 30 % methanol with 0.01 N sodium hydroxide and 0.500 g/L p-Cumylphenol in 1.0, 10 and 30 % acetonitrile with 0.01 N and 0.1 N sodium hydroxide and 0.01 N and 0.1 N hydrochloric acid did not yield reportable results since a break in the titration curves was not observed.

 

The dissociation constant for p-Cumylphenol was investigated using spectrophotometric determination in a GLP-compliant study performed in accordance with OECD Test Guideline 112 (Springborn Smithers Laboratories, 2009).

The pKa could not be determined by spectrophotometric determination. Spectrophotometric determination of the 10.0 mg/L samples at pH 4, 7 and 9 did show a slight shift in the peak maximum wavelength from 197 nm to 225 nm, but there was not enough wavelength resolution or the enhancement of a peak at any other wavelength to calculate pKa.