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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:
Between 07 January 2009 and 17 April 2009.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.
Reference:
Composition 0
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
Date of inspection: 19th August 2008 Date of signature: 4th March 2009
Type of method:
flask method
Test material information:
Composition 1
Key result
Water solubility:
0.001 g/L
Temp.:
20 °C
pH:
5.5 - 6.9
Remarks on result:
other: Component B (main constituent; PEMB)
Key result
Water solubility:
0.034 g/L
Temp.:
20 °C
pH:
5.5 - 6.9
Remarks on result:
other: Component A (minor constituent)
Details on results:
Preliminary test
The preliminary estimate of water solubility was for 1.43 x 10-2 g/L for Component A and 2.76 x 10-3 g/l for Component B.

 Definitive test

The mean peak areas relating to the standard and sample solutions are shown in the following table:

Component A:

Solution

Mean Peak Area

Standard 53.0 mg/L

621.161

Standard 56.5 mg/l

623.677

Matrix Blank

0

Sample 1A

849.078

Sample 1B

848.593

Sample 2A

1.058 x 103

Sample 2B

1.061 x 103

Sample 3A

1.237 x 103

Sample 3B

1.229 x 103

Standard 65.5 mg/L

556.123

Standard 67.0 mg/l

540.009

Matrix Blank

0

Sample 4A

958.497

Sample 4B

956.012

Sample 5A

948.516

Sample 5B

949.105

Sample 6A

1.009 x 103

Sample 6B

1.004 x 103

Component B

Solution

Mean Peak Area[1]

Standard 5.30 mg/L

801.302

Standard 5.65 mg/L

649.576

Matrix Blank

46.083

Sample 1A

118.167

Sample 1B

145.403

Sample 2A

176.376

Sample 2B

173.956

Sample 3A

223.003

Sample 3B

132.230

Standard 65.5 mg/L

376.650

Standard 67.0 mg/L

371.706

Matrix Blank

0

Sample 4A

26.315

Sample 4B

25.479

Sample 5A

25.098

Sample 5B

22.892

Sample 6A

27.145

Sample 6B

27.307

[1]Standard and sample mean peak areas have been corrected for the mean peak area of the matrix blank.

The concentration (g/l) of test material in the sample solutions is shown in the following table:

Sample Number

Time Shaken at

~ 30ºC (hours)

Time Equilibrated at 20ºC (hours)

Concentration (g/l) Component A

Concentration (g/l) Component B

Solution pH

1

24

24

2.13 x 10-2

1.64 x 10-3 

6.3

2

48

24

2.66 x 10-2

2.19 x 10-3

6.7

3

72

24

3.10 x 10-2

2.22 x 10-3

6.9

4

96

24

3.31 x 10-2

7.61 x 10-4

5.5

5

120

24

3.28 x 10-2

7.05 x 10-4

5.6

6

144

24

3.49 x 10-2

8.00 x 10-4

6.1

† Data not used included in the mean concentration

Component

Mean Concentration (g/L)
at 20.0 ± 0.5 ºC

Range (g/L)

A

3.36 x 10-2

3.28 x 10-2to 3.49 x 10-2

B

7.55 x 10-4

7.05 x 10-4to 8.00 x 10-4

 Discussion:

The concentration of Component A was considered to have reached a plateau after 96 hours. Therefore the data from 96, 120 and 144 hours was used to calculate the mean water solubility concentration for Component A of the test material.

Component B results from the 24, 48 and 72 hour samples were considered to be artificially elevated possibly due to an interfering peak in the chromatography (see chromatogram below). The chromatography for the latter time-points was noted to be free from interference and reproducibility of the data was significantly improved. It was considered appropriate to use only the data from 96, 120 and 144 hour time-points tor calculation of the water solubility of Component B of the test material It is evident from the structural information that although there are functional groups present that may be prone to hydrolysis. However, the calculated estimate of hydrolysis at pH 7 gives half-lives of approximately 13 and 10 years for Components A and B respectively (HYDROWIN v1.67, EPISuite version 3.11, copyright 2000 - 2007 US Environment Protection Agency). Data relating to the pH of the test material in water indicates that negligible hydrolysis of the sample solution occurred during the course of the water solubility test.

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L) both the minor and main constituents fall into this category
The water solubility of the test material has been determined using the flask method and the results are shown in the following table:

Component Concentration (g/l) at 20.0 ± 0.5 ºC
A (minor) 3.36 x 10-2
B (main) 7.55 x 10-4
Executive summary:

Water Solubility:  The water solubility the test material has been determined using the flask method, Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The results are shown in the following table:

Component

Concentration (g/l) at 20.0 ± 0.5ºC

A (minor)

3.36 x 10-2

B (main, PEMB)

7.55 x 10-4

Description of key information

The water solubility of the substance was determined as 0.755 mg/L (main constituent) according to OECD Guideline 105 using the flask method.

Key value for chemical safety assessment

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

Additional information

Samples stirring times were prolonged to 96, 120 and 144 hours, because analytical results indicated that the maximum solubility (plateau) had not been reached after 72 hours of stirring. Additionally, the solubility of the main constituent was considered to be overestimated in the 24 -, 48 - and 72 hours samples due to interferences in the chromatography.

It was concluded that the water solubility of the minor constituent PE3MB is 33.6 mg/L at 20 °C (component A) whereas the water solubility of the main constituent PEMB was determined to be 0.755 mg/L at 20 °C (component B). Since the latter constituent is of main interest, the key value for the water solubility of PEMB will be assigned as 0.755 mg/L.