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Physical & Chemical properties

Water solubility

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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:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
no
Remarks:
Conducted in a GLP compliant laboratory but not as part of a formal GLP study.
Type of method:
flask method
Remarks:
overnight stir method
Water solubility:
46 mg/L
Temp.:
25 °C
pH:
6.6
Remarks on result:
other: Peak 1
Water solubility:
11 mg/L
Temp.:
25 °C
pH:
6.6
Remarks on result:
other: Peak 2
Water solubility:
24 mg/L
Temp.:
25 °C
pH:
6.6
Remarks on result:
other: Peak 3
Details on results:
It was not possible to confirm the of the component corresponding to each peak.
Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubilities of three components of the test substance were reported as 46 mg/l (peak 1), 11 mg/l (peak 2) and 24 mg/l (peak 3).
Executive summary:

The water solubility of the test substance was determined in accordance with the EU Testing Guideline A.6., using the shake flask and overnight stir method. On assessment of the shake flask results by the sponsor, concern was raised at the effect of sample concentration on the accuracy of the results obtained, due to excessive amounts taken when compared to the expected water solubility of the test substance. It is possible that, as the test substance is a mixture of related components, some of the more water soluble components may cause partitioning effects in the test solutions leading to anomalous values being obtained. It was decided to perform an overnight stir test to assess the water solubility values obtained using a lower sample concentration. When the results of the two analysis methods were compared there were few differences in the chromatographic profiles. The water solubility was reported for three components of the test substance: 46 mg/l (peak 1), 11 mg/l (peak 2) and 24 mg/l (peak 3). It was not possible to identify the component responsible for each peak.

Endpoint:
water solubility
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
no
Remarks:
Conducted in a GLP compliant laboratory but not as part of a formal GLP study.
Type of method:
flask method
Remarks:
overnight stir
Water solubility:
26 mg/L
Temp.:
25 °C
pH:
6.5
Remarks on result:
other: Peak 1
Water solubility:
79 mg/L
Temp.:
25 °C
pH:
6.5
Remarks on result:
other: Peak 2

When the results of the two analysis methods were compared, there were differences in the chromatographic profiles. For the comparable peaks in both tests at approximate retention times of 6.2 and 6.5 mins, there were minor differences between the results obtained but these are not felt to be significant and therefore the values obtained for these peaks do not appear to be affected by changes in sample concentration. However additional major peaks were detected by the shake flask method indicating that the differences in the chromatographic profiles could be due to the higher excess of test substance present or could be caused by insufficient equilibration during overnight stirring compared to the longer equilibrium time of the shake flask procedure.

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The water solubilities of the two main components were reported as 26 mg/l (peak 1) and 79 mg/l (peak 2).
Executive summary:

The water solubility of the test substance was determined in accordance with the EU Testing Method A.6, using the shake flask and overnight stir method. On assessment of the shake flask results by the sponsor, concern was raised at the effect of sample concentration on the accuracy of the results obtained, due to excessive amounts taken when compared to the expected water solubility of the test substance. It is possible that, as the test substance is a mixture of related components, some of the more water soluble components may cause partitioning effects in the test solutions leading to anomalous values being obtained. It was decided to perform an overnight stir test to assess the water solubility values obtained using a lower sample concentration. The water solubilities of the two main components were reported as 26 mg/l (peak 1) and 79 mg/l (peak 2).

Description of key information

The water solubilities of the three main components of BPA 3PO were reported as 46 mg/l, 11 mg/l and 24 mg/l in the key study. Different components present were shown to have differing water solubility, but the overall water solubility was < 100 mg/l across the UVCB substance, showing the substance to be slightly soluble.

Key value for chemical safety assessment

Water solubility:
11 mg/L
at the temperature of:
25 °C

Additional information

A study was conducted on the registered substance to determine the water solubility of the substance. In addition, the results of a read-across study on BPA 2PO have been provided. Both studies were carried out in accordance with the EU Testing Method A.6, with both using the shake flask and overnight stir method. In the key study on BPA 3PO water solubility was reported for three components of the test substance: 46 mg/l (peak 1), 11 mg/l (peak 2) and 24 mg/l (peak 3). It was not possible to identify the component responsible for each peak. In the read-across study on BPA 2PO, the water solubility was reported for two components of the test substance: 26 mg/l (peak 1) and 79 mg/l (peak 2). The test substance was shown to be slightly water soluble.