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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:
October 2005
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted in compliance with agreed protocols, with no or minor deviation from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of relevant results.
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
column elution method
Water solubility:
< 0.012 mg/L
Temp.:
20 °C
Remarks on result:
other: Peak 1. pH was 4.2 and 6.0 for the two different flow rates.
Water solubility:
< 0.03 mg/L
Temp.:
20 °C
Remarks on result:
other: Peak 2. pH was 4.2 and 6.0 for the two different flow rates.
Water solubility:
< 0.1 mg/L
Temp.:
20 °C
Remarks on result:
other: Peak 3. pH was 4.2 and 6.0 for the two different flow rates.

Preliminary test:

The concentration of EA-3098 in the aqueous phases after two and three successive centrigugation steps was for peak 1 <1.0 x 10 -5 g/l, peak 2 <4.0 x 10-5 g/l and for peak 3 <1.o x 10-4 g/l, respectively. From this it could be concluded that the water solubility of EA-3098 is <10 mg/l. Therefore, the column elution method was chosen for the determination of the water solubility of EA-3098. The pH of the aqueous phase after 2 centrifugation steps was 9.5.

Main study (column elution method):

Analysis confirmed the presence of test substance on the loaded carrier material before filling the column.

The eluates did not contain undissolved particles. In the eluates from the blank column a small peak was detected for peak 1. The concentration was calculated using the RF-factor and was <Limit of Detection (LOD).

The results are summarised in Tables 1, 2 and 3.

Table 1: Results of column elution method for peak 1

Actual flow rate (ml/h)

Sample no.

Concentration analysed (mg/l)

pH

24

1-10

<LOD*

4.2

12

1-10

<LOD*

6.0

* LOD = 0.012 mg/l (all samples contained a small test substance peak, which was smaller than the limit of detection).

Table 2: Results of column elution method for peak 2

Actual flow rate (ml/h)

Sample no.

Concentration analysed (mg/l)

pH

24

1-10

<LOD*

4.2

12

1-10

<LOD*

6.0

*LOD = 0.03 mg/l

Table 3: Results of column elution method for peak 3

Actual flow rate (ml/h)

Sample no.

Concentration analysed (mg/l)

pH

24

1-10

<LOD*

4.2

12

1-10

<LOD*

6.0

*LOD = 0.1 mg/l

Conclusions:
Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
Since EA-3098 is a mixture of components, quantitative analysis was based on the three largest peaks in the chromatogramn of EA-3098.

The water solubility of EA-3098 at 20.4 ± 0.5°C is < 1. 2x 10-5 g/l based on peak 1, < 3.0 x 10-5 g/l based on peak 2 and < 1.0 x 10-4 g/l based on peak 3, using the column elution method.
The pH was measured to be 4.2 and 6.0.
Executive summary:

The column elution method was used to determine the water solubility of EA-3098 and was based on the following guidelines:

OECD Guideline no. 105: "Water Solubility" and EEC Directive 62/69/EEC Method A.6 "Water solubility".

Since EA-3098 is a mixture of components, quantitative analysis was based on the three largest peaks in the chromatogramn of EA-3098.

The water solubility of EA-3098 at 20.4 ± 0.5°C is < 1.2 x 10-5 g/l based on peak 1, < 3.0 x 10-5 g/l based on peak 2 and < 1.0 x 10-4 g/l based on peak 3, using the column elution method.

The pH was measured to be 4.2 and 6.0.

.

Description of key information

Since EA-3098 is a mixture of components, quantitative analysis was based on the three largest peaks in the chromatogramn of EA-3098.

The water solubility of EA-3098 at 20.4 ± 0.5°C is < 1.2 x 10-5 g/l based on peak 1, < 3.0 x 10-5 g/l based on peak 2 and < 1.0 x 10-4 g/l based on peak 3, using the column elution method.

Key value for chemical safety assessment

Water solubility:
0.1 mg/L
at the temperature of:
20.4 °C

Additional information

The column elution method was used to determine the water solubility of EA-3098 and was based on the following guidelines:

OECD Guideline no. 105: "Water Solubility" and EEC Directive 62/69/EEC Method A.6 "Water solubility".

Since EA-3098 is a mixture of components, quantitative analysis was based on the three largest peaks in the chromatogramn of EA-3098.

The water solubility of EA-3098 at 20.4 ± 0.5°C is < 1.2 x 10-5g/l based on peak 1, < 3.0 x 10-5g/l based on peak 2 and < 1.0 x 10-4g/l based on peak 3, using the column elution method.

The pH was measured to be 4.2 and 6.0.