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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes
Type of method:
flask method
Water solubility:
2.18 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
10 g/L
Incubation duration:
24 h
Temp.:
20 °C
pH:
9.4

The relative standard deviation between the single determinations is < 15 %.

The validity criteria have therefore been met.

Conclusions:
The water solubility of the test item in demineralized water at 20 °C was determined to be 2.18 g/L.
Executive summary:

The water solubility of the test item was determined according to OECD Guideline 105.

In a preliminary test, the water solubility of the test item was found to be > 10^-2 g/L (approximately 640 mg/L). Therefore, the shake flask method was chosen for the determination of the water solubility. For the main test, a quantity of the test item necessary for saturation is dissolved in demineralized water. The vessels are stoppered and stirred on a magnetic stirrer for 24 h, 48 h and 72 h at 30 °C in a temperature controlled water bath. Following this procedure, the temperature is reduced to 20 °C and is kept in the temperature controlled water bath for another 24 h. After phase separation by filtration with a disposable syringe filter and/or centrifugation (20 minutes, 11000 rpm, 20 °C), the concentration of the test item in aqueous test solutions was determined by HPLC-analysis with UV-detection.

The test item is described as a mixture of two main constituents. The HPLC-UV chromatogram of the test item showed two peaks representing the two main constituents: tetraphenylphosphanium and phenol (determined as sum of phenolate and free phenol). Therefore, individual water solubility values of tetraphenylphosphanium and phenol were determined by external calibration using certified calibration substances. The water solubility of the test item was calculated as sum of both values.

Water solubility of the test item was determined to be 2.18 g/L (at 20 °C). The relative standard deviation between the single determinations was < 15 %. The validity criteria have been met.

Description of key information

The water solubility of the test item in demineralized water at 20 °C was determined to be 2.18 g/L.

Key value for chemical safety assessment

Water solubility:
2.18 g/L
at the temperature of:
20 °C

Additional information

The water solubility of the test item was determined according to OECD Guideline 105.

In a preliminary test, the water solubility of the test item was found to be > 10^-2 g/L (approximately 640 mg/L). Therefore, the shake flask method was chosen for the determination of the water solubility. For the main test, a quantity of the test item necessary for saturation is dissolved in demineralized water. The vessels are stoppered and stirred on a magnetic stirrer for 24 h, 48 h and 72 h at 30 °C in a temperature controlled water bath. Following this procedure, the temperature is reduced to 20 °C and is kept in the temperature controlled water bath for another 24 h. After phase separation by filtration with a disposable syringe filter and/or centrifugation (20 minutes, 11000 rpm, 20 °C), the concentration of the test item in aqueous test solutions was determined by HPLC-analysis with UV-detection.

The test item is described as a mixture of two main constituents. The HPLC-UV chromatogram of the test item showed two peaks representing the two main constituents: tetraphenylphosphanium and phenol (determined as sum of phenolate and free phenol). Therefore, individual water solubility values of tetraphenylphosphanium and phenol were determined by external calibration using certified calibration substances. The water solubility of the test item was calculated as sum of both values.

Water solubility of the test item was determined to be 2.18 g/L (at 20 °C). The relative standard deviation between the single determinations was < 15 %. The validity criteria have been met.