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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
24/09/2018 - 26/09/2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
2014
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method
Water solubility:
2.47 mg/L
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
200 g/L
Temp.:
20 °C
pH:
7
Details on results:
Tyndall effects: Negative
Equilibrium: At each flow rate, the last five of the seven samples taken were used for calculation as these were constant within 30% (3% for 0.4 mL/minute and 8% for 0.2 mL/minute).
Repeatability: The difference between mean values of each flow rate was 2%.

Water solubility results as concentration of test substance in mg/L

Sample 0.4 mL/minute 0.2 mL/minute Overall
1 2.42 2.54  
2 2.45 2.36  
3 2.51 2.53  
4 2.43 2.52  
5 2.43 2.55  
Mean 2.45 2.50 2.47
Deviation 3 8 2

Deviation for flow rates calculated as ((Cmax-Cmin)*100)/Cmin, where C is the concentration of the test item

Deviation for overall result calculated as ((C1 -C2)*100)/C1, where C1 and C2 are the concentration of the test item at flow rates 1 and 2 respectively

Conclusions:
The water solubility of the test item is 2.47 mg/L at 20°C.
Executive summary:

The water solubility of the test item was determined in a GLP study following OECD guideline 105, following the column elution method with LC-MS/MS analysis. The validity criteria for OECD 105 were met in this study. The water solubility of the test item was determined to be 2.47 mg/L at 20°C and pH 7.

Description of key information

The water solubility of isopentyl p-methoxycinnamate was determined to be 2.47 mg/L at 20°C.

Key value for chemical safety assessment

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

Additional information

The water solubility of the test item was determined in a GLP study following OECD guideline 105, following the column elution method with LC-MS/MS analysis. The validity criteria for OECD 105 were met in this study. The water solubility of the test item was determined to be 2.47 mg/L at 20°C and pH 7.

In the supporting study, the water solubility of the test item was determined using the shake flask method by quantitative HPLC analysis according to EU method A6 (shake flask method). Due to expected low water solubility (<10 mg/L) as indicated during surface tension analysis, the column elution method was initially proposed as the most suitable method for analysis. An attempt was made to prepare the free flowing coated support material required for this test but due to the nature of the test substance, this was not possible. The expected water solubility was therefore lower than the recommended limit for shake flask testing, however the sensitivity of the HPLC method used was such that it was expected that adequate accuracy of the test solutions could be obtained at the low levels required and therefore the shake flask procedure was used. The water solubility of test substance in the 5 test solutions ranged from 0.71 to 0.95 mg/L (mean: 0.8 mg/L), as determined by quantitative HPLC analysis. The pH values of the test solutions ranged from 5.58 to 6.85. The water solubility of the test item was 0.8 mg/L at 25°C.