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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:
Experimental start date: 19 August 2015 Experimental completion date: 24 December 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
The water solubility at 20.0 ± 0.5 °C was determined at a nominal loading rate of 10% using the flask method, designed to be compatible with Method A6 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.
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
59.5 other: g/L as Test Item
Conc. based on:
other: using a nominal loading rate of 10%
Remarks:
Monoalkyl phosphate
Incubation duration:
24 h
Temp.:
20 °C
pH:
3.5
Remarks on result:
other: .The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10%
Water solubility:
ca. 2.97 other: g/L As Component
Conc. based on:
other: using a nominal loading rate of 10%
Remarks:
Monoalkyl phosphate
Incubation duration:
24 h
Temp.:
20 °C
pH:
3.5
Remarks on result:
other: The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10%
Water solubility:
1.61 other: g/L as Test Item
Conc. based on:
other: using a nominal loading rate of 10%
Remarks:
Dialkyl pyrophosphate
Incubation duration:
24 h
Temp.:
20 °C
pH:
3.5
Remarks on result:
other: The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10%
Water solubility:
ca. 0.515 other: g/L as Component
Conc. based on:
other: using a nominal loading rate of 10%
Remarks:
Dialkyl pyrophosphate
Incubation duration:
20 h
Temp.:
20 °C
pH:
3.5
Remarks on result:
other: The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10%
Water solubility:
3.29 other: g/L as Test Item
Conc. based on:
other: using a nominal loading rate of 10%
Remarks:
Dialkyl phosphate
Incubation duration:
24 h
Temp.:
20 °C
pH:
3.5
Remarks on result:
other: The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10%
Water solubility:
ca. 1.58 other: g/L as Component
Conc. based on:
other: using a nominal loading rate of 10%
Remarks:
Dialkyl phosphate
Incubation duration:
24 h
Temp.:
20 °C
pH:
3.5
Remarks on result:
other: .The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10%
Water solubility:
0.041 other: g/L as Test Item
Conc. based on:
other: using a nominal loading rate of 10%
Remarks:
Trialkly pyrophosphate
Incubation duration:
24 h
Temp.:
20 °C
pH:
3.5
Remarks on result:
other: The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10%
Water solubility:
0.006 other: g/L as Component
Conc. based on:
other: using a nominal loading rate of 10%
Remarks:
Trialkly pyrophosphate
Incubation duration:
24 h
Temp.:
20 °C
pH:
3.5
Remarks on result:
other: The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10%
Details on results:
please see below

PreliminaryTest

 

The preliminary estimates of water solubility at 20.0 ± 0.5 °C for the four components are shown in the table below. The solution had a pH of 3.5.

 

Table 4

 

 

Peak

 

Component of Test Item

Concentration (g/L)

As Test Item

As Component

1

Monoalkyl phosphate

49.1

~2.45

2

Dialkyl pyrophosphate

1.45

~0.463

3

Dialkyl phosphate

4.19

~0.201

4

Trialkly pyrophosphate

0.123

~1.85 x 10-2

 

MainTest

 

Typical chromatography is presented in the attached Appendix 1.

 

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

 

Table 5 - Sample 1

 

 

Solution

Mean Peak Area

Peak 1

Peak 2

Peak 3

Peak 4

Standard 1.03 mg/L

8.743 x103

6.970 x104

1.145 x105

2.126 x104

Standard 5.16 mg/L

4.259 x104

3.371 x105

5.814 x105

1.426 x105

Standard 10.3 mg/L

7.887 x104

6.779 x105

1.055 x106

3.785 x105

Standard 20.6 mg/L

1.899 x105

1.475 x106

2.201 x106

8.307 x105

Standard 25.2 mg/L

2.064 x105

1.634 x106

2.467 x106

9.584 x105

Standard 31.0 mg/L

3.245 x105

2.192 x106

3.236 x106

1.262 x106

Standard 41.3 mg/L

4.291 x105

2.709 x106

3.961 x106

1.555 x106

Standard 51.6 mg/L

6.140 x105

3.574 x106

5.097 x106

2.185 x106

Sample 1A

2.521 x105

2.112 x106

1.696 x106

2.806 x105

Sample 1B

3.659 x105

2.142 x106

1.729 x106

2.617 x105

Table 6 – Sample 2

 

 

Solution

Mean Peak Area

Peak 1

Peak 2

Peak 3

Peak 4

Standard 1.03 mg/L

9.406 x103

8.059 x104

1.224 x105

2.195 x104

Standard 5.16 mg/L

4.259 x104

3.371 x105

5.814 x105

1.426 x105

Standard 10.3 mg/L

8.776 x104

7.387 x105

1.174 x106

3.011 x105

Standard 20.6 mg/L

1.899 x105

1.475 x106

2.201 x106

8.307 x105

Standard 25.2 mg/L

2.614 x105

1.844 x106

2.794 x106

9.455 x105

Standard 31.0 mg/L

3.245 x105

2.192 x106

3.236 x106

1.262 x106

Standard 41.3 mg/L

5.157 x105

3.064 x106

4.484 x106

1.769 x106

Standard 51.6 mg/L

6.140 x105

3.574 x106

5.097 x106

2.185 x106

Sample 2A

2.492 x105

2.186 x106

1.728 x106

2.787 x105

Sample 2B

4.152 x105

2.261 x106

1.799 x106

2.792 x105

 

Table 7 – Sample 3

 

 

Solution

Mean Peak Area

Peak 1

Peak 2

Peak 3

Peak 4

Standard 1.03 mg/L

9.406 x103

8.059 x104

1.224 x105

2.195 x104

Standard 5.16 mg/L

5.161 x104

4.044 x105

6.986 x105

1.421 x105

Standard 10.3 mg/L

8.776 x104

7.387 x105

1.174 x106

3.011 x105

Standard 20.6 mg/L

2.307 x105

1.678 x106

2.546 x106

7.413 x105

Standard 25.2 mg/L

2.614 x105

1.844 x106

2.794 x106

9.455 x105

Standard 31.0 mg/L

3.796 x105

2.503 x106

3.743 x106

1.241 x106

Standard 41.3 mg/L

5.157 x105

3.064 x106

4.484 x106

1.769 x106

Standard 51.6 mg/L

7.071 x105

4.098 x106

5.859 x106

2.225 x106

Sample 3A

3.604 x105

2.647 x106

1.995 x106

2.832 x105

Sample 3B

2.553 x105

2.685 x106

2.035 x106

2.720 x105

 

Typical calibration curves from which the sample concentrations were interpolated are shown in the atached Figure 1 to Figure 4.

The concentration (g/L) of four test item components in the sample solutions at 20.0 ± 0.5 ºC are shown in the following table:

 

Table 8

 

Sample Number

Concentration (g/L)

Solution pH

Peak 1

Peak 2

Peak 3

Peak 4

1

62.9

1.57

3.31

3.86 x 10-2

3.7

2

61.2

1.54

3.15

4.19 x 10-2

3.8

3

54.3

1.73

3.41

4.38 x 10-2

3.7

Mean

59.5

1.61

3.29

4.14 x 10-2

 

 

The mean sample concentrations as weight of test item and approximate concentrations corrected for the approximate percentage composition of the components are shown in the following table:

 

Table 9

 

 

Peak

 

Component of Test Item

Concentration (g/L)

As Test Item

As Component

1

Monoalkyl phosphate

59.5

~2.97

2

Dialkyl pyrophosphate

1.61

~0.515

3

Dialkyl phosphate

3.29

~1.58

4

Trialkly pyrophosphate

4.14 x 10-2

~6.21 x 10-3

Conclusions:
The water solubility of the test item has been determined at 20.0 ± 0.5 °C using a nominal loading rate of 10% and the results are as follows:

Table 11
Component of Test Item Concentration (g/L)
As Test Item As Component
Monoalkyl phosphate 59.5 ~2.97
Dialkyl pyrophosphate 1.61 ~0.515
Dialkyl phosphate 3.29 ~1.58
Trialkly pyrophosphate 4.14 x 10-2 ~6.21 x 10-3
Although, additional testing demonstrated that the water solubility of the components was loading rate dependent.
Executive summary:

The water solubility at 20.0 ± 0.5 °C was determined at a nominal loading rate of 10% using the flask method, designed to be compatible with Method A6 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 as follows:

 

Table 1

 

 

Component of Test Item

Concentration (g/L)

As Test Item

As Component

Monoalkyl phosphate

59.5

~2.97

Dialkyl pyrophosphate

1.61

~0.515

Dialkyl phosphate

3.29

~1.58

Trialkly pyrophosphate

4.14 x 10-2

~6.21 x 10-3

 Although, additional testing demonstrated that the water solubility of the components was loading rate dependent.

Description of key information

The water solubility at 20.0 ± 0.5 °C was determined at a nominal loading rate of 10% using the flask method, designed to be compatible with Method A6 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 as follows:

 

Table 1

 

 

Component of Test Item

Concentration (g/L)

As Test Item

As Component

Monoalkyl phosphate

59.5

~2.97

Dialkyl pyrophosphate

1.61

~0.515

Dialkyl phosphate

3.29

~1.58

Trialkly pyrophosphate

4.14 x 10-2

~6.21 x 10-3

 

Although, additional testing demonstrated that the water solubility of the components was loading rate dependent.

Key value for chemical safety assessment

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

Additional information