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Physical & Chemical properties

Water solubility

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Description of key information

From the read across with 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene: the water solubility at 20°C was determined to be 0.04 mg/l.

Key value for chemical safety assessment

Water solubility:
0.04 mg/L
at the temperature of:
20 °C

Additional information

There is no data on 1,4-bis[1-(tert-butylperoxy)-1-methylethyl]benzene. A read across approach is proposed with 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene.

The water solubility at 20°C was determined to be below the concentration of the lowest calibration point which is < 0.62 mg/I. using the column elution method. Based upon this result, 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene can be considered slightly soluble even insoluble in water.

In order to confirm this data, the water solubility of 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene was estimated with EPISUITE software. The calculated water solubility of 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene is 0.003945 mg/l at 25°C. Consequently and according to the experimental and estimated values 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene can be considered as insoluble in water.

Nevertheless, water solubility is a significant parameter for a number of reasons: knowledge of the water solubility is a prerequisite for setting up test conditions for a range of fate (e.g. biodegradation, bioaccumulation) and effects studies. It is also used to derive other environmental parameters, such as Kow, Koc and Henry’s Law Constant. As a consequence we decided to perform a new test with the aim of determining a precise value for the water solubility. The water solubility of 1,3 (or 1,4)-bis[1-(tert-butylperoxy)-1-methylethyl]benzene was evaluated in a study performed in accordance with OECD testing guideline 105 and GLP requirements. The column elution method was used. The water solubility at 20°C was determined to be 0.04 mg/l.