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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:
09 August 2010 to 13 August 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
8.66 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
>= 2.41 - <= 2.55
Remarks on result:
other: Standard deviation = 0.44

The pH measured of the samples of hour 24, 48 and 72 was 2.55, 2.41 and 2.47, respectively. The low pH value may be due to hydrolysis of the test material to MeOH and HI, which dissociates to H3O+ and I-. After 24 hours values of 11.8 and 11.1 g a.i./L were measured. After 48 hours values of 8.63 and 8.22 g a.i./L were found. After 72 hours values of 8.53 and 9.26 g a.i./L were found. The average solubility of the test material was based on the hour 48 and 72 values to be 8.66 ± 0.44 g a.i./L (RSD: 5.06 %). Since the solubility results from the last two vessels (48- and 72-hour vessels) differ only 5.31 %, the test was considered to be satisfactory and only the values for the last two measurements were taken. The OECD guideline 105 requests a relative standard deviation of less than 15 % between the last two measurements. Also no trend towards increasing solubility was observed.

Quality control samples prepared each day resulted in recoveries of 121, 97.5 and 87.0 %.

This indicates that the measurements themselves were correct.

Conclusions:
Under the conditions of this study, the average solubility of the test material was 8.66 ± 0.44 g a.i./L (RSD: 5.06 %).
Executive summary:

The water solubility of the test material was investigated in accordance with the standardised guidelines OECD 105 and OPPTS 830.7840, under GLP conditions.

The pH measured of the samples of hour 24, 48 and 72 was 2.55, 2.41 and 2.47, respectively. The low pH value may be due to hydrolysis of the test material to MeOH and HI, which dissociates to H3O+ and I-.

After 24 hours values of 11.8 and 11.1 g a.i./L were measured. After 48 hours values of 8.63 and 8.22 g a.i./L were found. After 72 hours values of 8.53 and 9.26 g a.i./L were found. The average solubility of the test material was based on the hour 48 and 72 values to be 8.66 ± 0.44 g a.i./L (RSD: 5.06 %). Since the solubility results from the last two vessels (48- and 72-hour vessels) differ only 5.31 %, the test was considered to be satisfactory and only the values for the last two measurements were taken. The OECD guideline 105 requests a relative standard deviation of less than 15 % between the last two measurements. Also no trend towards increasing solubility was observed.

Under the conditions of this study, the average solubility of the test material was 8.66 ± 0.44 g a.i./L (RSD: 5.06 %).

Description of key information

Grubelnik 2010

Under the conditions of this study, the average solubility of the test material was 8.66 ± 0.44 g a.i./L (RSD: 5.06 %).

Brookman & Curry 2002

According to the literature the water solubility of the test material was 14.2 g/L.

Key value for chemical safety assessment

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

Additional information

Grubelnik 2010

The water solubility of the test material was investigated in accordance with the standardised guidelines OECD 105 and OPPTS 830.7840, under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

The pH measured of the samples of hour 24, 48 and 72 was 2.55, 2.41 and 2.47, respectively. The low pH value may be due to hydrolysis of the test material to MeOH and HI, which dissociates to H3O+ and I-.

After 24 hours values of 11.8 and 11.1 g a.i./L were measured. After 48 hours values of 8.63 and 8.22 g a.i./L were found. After 72 hours values of 8.53 and 9.26 g a.i./L were found. The average solubility of the test material was based on the hour 48 and 72 values to be 8.66 ± 0.44 g a.i./L (RSD: 5.06 %). Since the solubility results from the last two vessels (48- and 72-hour vessels) differ only 5.31 %, the test was considered to be satisfactory and only the values for the last two measurements were taken. The OECD guideline 105 requests a relative standard deviation of less than 15 % between the last two measurements. Also no trend towards increasing solubility was observed.

Under the conditions of this study, the average solubility of the test material was 8.66 ± 0.44 g a.i./L (RSD: 5.06 %).

Brookman & Curry 2002

According to the literature the water solubility of the test material was 14.2 g/L.