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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:
Sept-Oct 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: non-GLP
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes
Type of method:
flask method
Water solubility:
22.18 g/L
Temp.:
25 °C
pH:
>= 7 - <= 11
Remarks on result:
other: The pH changes during the test from initially 7 to 11.

The guidelines recommend partition coefficient studies to be conducted where the substance is in its neutral or minimally ionized state. The solubility test was conducted at pH 7, that is approximately 2 pH units below the mean pH at half point (pH 9.22). The pH changes from 7 to 11 during the test.

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The average result of the solubility test for BADGE-IPD at 25°C in buffered pH 7 water using TOC analysis is 15.63 g/L. For flasks from days 3-5 the %RSD is 3.5. The solution pH changed from 6.96 to an average 11.3 during the course of the test period. The mean water solubility value at 25°C was calculated as 22.18 g/L or 16.85 %.
Executive summary:

The purpose of the analysis was to determine solubility of BADGE-IPD by the flask method according to OECD 105. The average result of the solubility test for BADGE-IPD at 25°C in buffered pH 7 water using TOC analysis is 15.63 g/L. For flasks from days 3-5 the %RSD is 3.5. The solution pH changed from 6.96 to an average 11.3 during the course of the test period.

The mean water solubility value at 25°C was determined as 22.18 g/L / 16.85 %.

Water solubility (g/L) = (average TOC (g/L) / Carbon (wt%) elemental analysis) x100

Water solubility % = (average TOC (g/L) / Theorectical maximum TOC (g/L)) x100

Description of key information

The water solubility value at 25°C was determined as 22.18 g/L or 16.85 %.

Key value for chemical safety assessment

Water solubility:
22.18 g/L
at the temperature of:
25 °C

Additional information

Water solubility was conducted by flask method in accordance with EU A6 OECD Guidelines for The Testing of Chemicals 105, July 27, 1995.

The solubility test for BADGE-IPD at 25°C in buffered pH 7 water was performed using TOC analysis and elemental analysis.

The solubility at pH 11.3 was calulated via the formulae below:

Water solubility (g/L) = (average TOC (g/L) / Carbon (wt%) elemental analysis) x100

Water solubility % = (average TOC (g/L) / Theorectical maximum TOC (g/L)) x100