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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 July 2017 - 01 June 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study was conducted in accordance with international guidelines and in accordance with GLP. All guideline validity criteria were met.
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
Regulation (EC) 440/2008 of 30 May 2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
27 July 1995
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
4.8 mg/L
Conc. based on:
test mat.
Remarks:
Total Organic Carbon
Temp.:
20 °C
pH:
>= 6.6 - <= 7.6
Remarks on result:
other: Mean value
Remarks:
Samples 1 - 3 and sample 6

Evaluation of Data:

The TC and IC concentrations of each sample were measured and calculated automatically by the instrument’s software from plots generated during calibration. The TOC concentration was then calculated by subtraction of the IC concentration from the TC concentration.

 

 

Results – Preliminary Test:

The concentration (mg/L) of test item (as total organic carbon) in the sample solutions is shown in Table 4:

 

Table 4:          Preliminary Test Results

Sample Number

Nominal loading rate (g/L)

Time shaken at ~ 30 ºC (hrs)

Concentration (mg TOC/L)

Time Shaken at 30 ºC (h)

A

0.1

4.5

7.9

6.5

B

1

4.5

7.8

6.5

C

10

4.5

13.7

6.8

Results – Definitive Test:

The concentration (mg/L) of test item (as total organic carbon) in the sample solutions is shown in Table 5:

 

Table 5:          Definitive Test Results

Sample Number

Nominal loading rate (g/L)

Time shaken at ~ 30 ºC (hrs)

Concentration (mg TOC/L)

Time Shaken at 30 ºC (h)

Blank

-

-

<1

-

1

0.1

72

4.6

6.6

2

0.5

72

4.7

6.6

3

1

72

5.6

6.5

4

10

72

10.5

6.8

5

50

72

30.5

7.6

6

1

48

4.2

7.3

7*

1

24

47.0

7.5

* Sample 7 considered to be an outlier. Sample most likely contaminated during sample preparation. The result has not used in calculations.

The concentrations have not been corrected for the blank contribution as this was less than the limit of quantification of the instrument and therefore is quoted as a limit value.

 

Concentrations for loading rates tested were found to be in the range of 4.2 to 30.5 mg TOC/L at 20.0 ± 0.5 ºC. Increasing test item concentrations (as TOC) were demonstrated with increasing loading rate. The effect of loading rate was observed from a nominal loading rate of 10 g/L and above. 

 

At nominal loading rates at 1 g/L and below, there was no significant effect of loading. It is considered that the water solubility of the test item should be reported as the mean of the values where the loading rate was observed to have no significant effect (loading rates 0.1 to 1 g/L, Samples 1, 2, 3 and 6).

 

Overall Result: 4.8 x 10-3g/L at 20.0 °C

 

 

Discussion:

As the test item was a complex mixture, the flask shaking test was performed. On completion of the equilibration period, the samples were clear, colourless solutions with excess test item present. After the sample solutions had been centrifuged and filtered, the solutions were observed to be clear, colourless solutions.

Conclusions:
The water solubility of the test item (as total dissolved carbon) has been determined to be 4.8 x 10-3 g/L at 20.0 ± 0.5 °C.
Executive summary:

EU Method A.6.  – The water solubility of the test item was determined using the shake flask method.  The procedure employed was designed to be compatible with Method A.6., water solubility, of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Follow the outcome of a preliminary test, seven samples were prepared for a main test at nominal loading rates of 0.1 – 50 g/L.  After preparation, the samples were shaken (200 rpm) at 30.0 ± 1.0 °C followed by static equilibration at 20.0 ± 0.5 °C for a period of 24 – 72 hours.  The solutions were centrifuged at 13,000 rpm for 15 minutes, filtered through 0.2 µm filters and analysed.  The pH of each solution was measured.  The concentration of organic carbon dissolved in each sample solution was determined by total organic carbon (TOC) analysis.

During the main test increasing test item concentrations (as TOC) were demonstrated with increasing loading rate.  The effect of loading rate was observed from a nominal loading rate of 10 g/L and above.  At nominal loading rates at 1 g/L and below, there was no significant effect of loading.  It is considered that the water solubility of the test item should be reported as the mean of the values where the loading rate was observed to have no significant effect (loading rates 0.1 to 1 g/L.  The mean water solubility of the test item (as total dissolved carbon) has been determined to be 4.8 x 10-3 g/L at 20.0 ± 0.5 °C.  

Description of key information

Water Solubility: 4.8 x 10-3 g/L at 20.0 ± 0.5 °C; EU Method A.6.; R. Butler (2018).

Key value for chemical safety assessment

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

Additional information

EU Method A.6.  – The water solubility of the test item was determined using the shake flask method.  The procedure employed was designed to be compatible with Method A.6., water solubility, of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Follow the outcome of a preliminary test, seven samples were prepared for a main test at nominal loading rates of 0.1 – 50 g/L.  After preparation, the samples were shaken (200 rpm) at 30.0 ± 1.0 °C followed by static equilibration at 20.0 ± 0.5 °C for a period of 24 – 72 hours.  The solutions were centrifuged at 13,000 rpm for 15 minutes, filtered through 0.2 µm filters and analysed.  The pH of each solution was measured.  The concentration of organic carbon dissolved in each sample solution was determined by total organic carbon (TOC) analysis.

During the main test increasing test item concentrations (as TOC) were demonstrated with increasing loading rate.  The effect of loading rate was observed from a nominal loading rate of 10 g/L and above.  At nominal loading rates at 1 g/L and below, there was no significant effect of loading.  It is considered that the water solubility of the test item should be reported as the mean of the values where the loading rate was observed to have no significant effect (loading rates 0.1 to 1 g/L.  The mean water solubility of the test item (as total dissolved carbon) has been determined to be 4.8 x 10-3 g/L at 20.0 ± 0.5 °C.