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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
Study period:
2018-08-14
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
adopted on July 27, 1995
Deviations:
no
GLP compliance:
not specified
Type of method:
flask method
Specific details on test material used for the study:
- CAS number: 67990-17-4
Key result
Water solubility:
443.4 g/L
Conc. based on:
test mat.
Incubation duration:
10 min
Temp.:
20 °C
pH:
13.5
Remarks on result:
other: water solubility = 443.4 +/- 21.2 g/L
Details on results:
The individual results differed by 4.8 % for water solubility, which makes tests correct.

Table: Water solubility of the test item

Flask Shaking duration (h) Weighted sample in g/2.5 mL Sum of peak areas of the signals Water solubility of Mercerol B g/L Average g/L Average g/L Standard deviation
WAT-1 24 3.3174 785716 436.5 450.8 443.4 21.2
WAT-2 24 3.4374 838031 455.6
WAT-3 24 3.2628 850969 460.3
WAT-4 48 3.1413 679992 398.1 419.5
WAT-5 48 1.1374 753898 424.9
WAT-6 48 3.3063 782529 435.4
WAT-7 72 3.0044 808479 444.8 459.9
WAT-8 72 3.2695 871819 468.0
WAT-9 72 3.2821 868554 466.8
Conclusions:
The water solubility of the test item was measured according to OECD TG 105 (flask method) to be 443.4 +/- 21.2 g/L.
Executive summary:

To determine the water solubility of the test item a study according to OECD TG 105 (flask method) was carried out. A preliminary test was made to choose the appopriate method for this determination. In the main test, 9 flasks were prepared. In each flask, about 3 g of the test item were added to 2.5 mL of water. These solutions were shaken for 24, 48 and 72 hours at 20 °C. After each 24 hours interval, 3 flasks were put aside. The samples were filtered through a 0.45 µm filter. The last filtrated solution samples were analysed with HPLC-method. The individual results differed by 4.8% and hence, the tests are regarded correct. The water solubility of the test item was determined to be 443.4 +/- 21.2 g/L.

Description of key information

The water solubility of the substance was measured according to OECD TG 105 (flask method) to be 443.4 g/L at 20 °C and pH = 13.5.

Key value for chemical safety assessment

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

Additional information

Key study

To determine the water solubility of the test item a study according to OECD TG 105 (flask method) was carried out. A preliminary test was made to choose the appopriate method for this determination. In the main test, 9 flasks were prepared. In each flask, about 3 g of the test item were added to 2.5 mL of water. These solutions were shaken for 24, 48 and 72 hours at 20 °C. After each 24 hours interval, 3 flasks were put aside. The samples were filtered through a 0.45 µm filter. The last filtrated solution samples were analysed with HPLC-method. The individual results differed by 4.8% and hence, the tests are regarded correct. The water solubility of the test item was determined to be 443.4 +/- 21.2 g/L at 20 °C and pH = 13.5 (Infrapark Baselland AG, 2018).

Supporting information

The water solubility was calculated using MPBVP v1.43 as part of EPISuite v4.11 from US Environmental Protection Agency. Using WSKOW v1.42 the water solubility of the test item was calculated to be 1000 g/L at 25 °C.

Conclusion

Based on the most reliable information (Infrapark Baselland AG, 2018) the water solubility of the test item is considered to be 443.4 g/L at 20 °C and pH = 13.5. This result is supported by a QSAR prediction using WSKOW v1.42 (EPISuite v4.11) as the water solubility of the test item at 25 °C was calculated to be 1000 g/L.