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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:
11-08-2011 to 01-12-2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study performed under GLP. All relevant validity criteria were met.
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
inspected: May 2009; signature: September 2009
Type of method:
flask method
Water solubility:
376 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
> 6.8 - < 7.5
Remarks on result:
other: The water solubility is the average of three determinations at 20.0 ± 0.5°C

Preliminary test:

The water solubility value of <1g/L was estimated during the preliminary study for the substance.

In addition, water solubility value of 767.9 mg/L was obtained using WSKOWWIN calculation method (Epiwin v3.10, Copyright©, 1990-2000, Microsoft Corp William Meylan) based on the structure of the test material.

Definitive test:

The peak area relating to the standard and sample solutions are shown in Table 2.

Table 2 Sample analysis

Sample solutions (hours)

Time shaken at 20°C (hours)

Concentration (mg/L)

Area (uV.s)

A/24

24

375.08

4974595

A/24

24

377.84

5011551

A/24

24

378.42

5019287

B/24

24

374.28

4963995

B/24

24

377.90

5012321

B/24

24

377.17

5002548

C/24

24

379.09

5028173

C/24

24

375.74

4983464

C/24

24

378.37

5018559

Average

377.10

Standard deviation

1.67

Coefficient of variation (%)

0.4

 

Sample solutions (hours)

Time shaken at 20°C (hours)

Concentration (mg/l)

Area (uV.s)

A/48

48

375.18

4976020

A/48

48

376.20

4989609

A/48

48

380.05

5040971

B/48

48

378.63

5021994

B/48

48

377.38

5005373

B/48

48

375.50

4980240

C/48

48

373.70

4956225

C/48

48

377.61

5008380

C/48

48

375.00

4973524

Average

376.58

Standard deviation

2.00

Coefficient of variation (%)

0.5

  

Sample solutions (hours)

Time shaken at 20°C (hours)

Concentration (mg/l)

Area (uV.s)

A/72

72

372.38

4938547

A/72

72

376.22

4989833

A/72

72

377.48

5006734

B/72

72

373.77

4957192

B/72

72

374.33

4964575

B/72

72

374.36

4965070

C/72

72

375.55

4980963

C/72

72

375.00

4973534

C/72

72

376.10

4988198

Average

375.02

Standard deviation

1.52

Coefficient of variation (%)

0.4

Water solubility calculation

The water solubility was calculated using the following equation:

Concentration (g/L) = (area x slope) + intercept

Water solubility = 0.376 g/L

The concentration (mg/L) of test material in the sample solutions is shown in Table 3.

Table 3: Test material concentrations

Sample solutions

Time equilibrated at 20°C (hours)

Concentration (mg/L)

pH

A/B/C

A/B/C

24

377.10

7.1/7.0/7.5

A/B/C

48

376.58

6.8/7.2/6.9

A/B/C

72

375.02

7.0/7.1/7.0

Mean concentration: 376.23 mg/L or 0.376 g/L at 20.0 ± 0.5°C.

Conclusions:
Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The test item water solubility was determined to be 376 mg/L at 20.0 ± 0.5°C and ca. pH 7.0.
Executive summary:

The water solubility of the substance was determined according to EU Method A.6 and OECD Method 105: flask method in accordance with GLP. Determinations with preincubation at 30 ± 0.5 °C with shaking for 8 hours and then settling at 20 °C for 24 hours and then extraction following 24, 48 and 72 hours respectively through a 45 μm filter with analysis by HPLC DAD using the test item as an external standard. The concentration measured in at least the last two longest incubation times (48 and 72 h) differed by no more than 15% and the temperature was kept constant to within ± 0.5 °C. Under the conditions of this study, the mean water solubility of the substance was determined to be 376 mg/L at 20 ± 0.5 °C and approximately pH 7.0.

Description of key information

Water Solubility: 376 mg/L at 20.0 ± 0.5°C and ca. pH 7.0, flask method – EU Method A.6, 2011

Key value for chemical safety assessment

Water solubility:
376 mg/L
at the temperature of:
20 °C

Additional information

The water solubility of the substance was determined according to EU Method A.6 and OECD Method 105: flask method in accordance with GLP. Determinations with preincubation at 30 ± 0.5 °C with shaking for 8 hours and then settling at 20 °C for 24 hours and then extraction following 24, 48 and 72 hours respectively through a 45 μm filter with analysis by HPLC DAD using the test item as an external standard. The concentration measured in at least the last two longest incubation times (48 and 72 h) differed by no more than 15% and the temperature was kept constant to within ± 0.5 °C. Under the conditions of this study, the mean water solubility of the substance was determined to be 376 mg/L at 20 ± 0.5 °C and approximately pH 7.0.

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