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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:
from 2017-07-03 to 2017-07-07
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
other: REACH Guidance Document "Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance” from Oct. 2015
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Test material information:
Composition 1
Key result
Water solubility:
470.2 g/L
Conc. based on:
test mat.
Incubation duration:
3 d
Temp.:
20 °C
pH:
>= 4.42 - <= 6

Measurements during Equilibration

The data which was acquired during equilibration time (flask 1A-C, days 1 – 3) is presented in the following table:

Table 3a: Equilibration

Day

Tempera-
ture
[°C]

pH*

Area
[mV*min]
(diluted
sample)

Measured
concentration
[mg/L]

Dilu-
tion
factor

Mean
Concentration
test item
[g/L]**

Difference
to previous
sample in %

1

20.0

5-6

36.533

2607.1

200

477.8

-

  34.760 

34.760

2

20.0

5-6

34.869

2501.7

200

471.8

-1.3

 35.409  

35.409

3

20.0

5-6

38.228

2714.5

200

499.4

5.8

 36.710  

36.710

* measured with pH-paper

** Recovery rate of the measured QC sample 106.8 % was taken into account

 

The plateau was considered as reached after 1 day shaking.

 

Measurements at Plateau

 

The following table gives the values, which were measured at the plateau.

 

Table 3b Plateau

Flask

Temperature

pH

Area
[mV*min]
(diluted
sample)

Measured values
analyte
[mg/L]

Dilution
factor

Mean
Concentration
test item
[g/L]

Blank

20.0

7*

Not

detectable

Not detectable

200

< LOQ

Not

detectable

Not detectable

2

20.3

4.56

31.778

2305.8

200

459.4

31.490

2287.5

3

20.3

4.45

31.154

2266.2

200

445.5

29.933

2188.9

4

20.3

4.45

32.855

2374.0

200

483.2

34.178

2457.8

5

20.3

4.43

30.960

2253.9

200

454.7

31.573

2292.8

6

20.3

4.42

32.704

2364.4

200

469.5

32.171

2330.6

* measured with pH-paper

** measured with pH-meter

The measurements of the days 1, 2 and 3 were included in the calculation of the mean.

Table 3c: Measurements used for Calculation of Solubility

Day Flask Concentration Total Mean Total Standard Deviation [g/L]
[g/L] [g/L] (RSD* [%])
1 1A 477.8 470.2 17.1 (3.6%)
2 1B 471.8
3 1C 499.4
3 2 459.4
3 3 445.5
3 4 483.2
3 5 454.7
3 6 469.5

* RSD = relative standard deviation

Conclusions:
The water solubility of the test item was determined to be 470.2 g/L ± 3.6 %. The result is also applicable for the water free form of the test item.
Executive summary:

A study was performed according to OECD TG 105 and Regulation (EC) No. 440/2008 method A.6 in order to determine the water solubility of the test item in water by using the flask method (analytical method: HPLC). The mean water solubility was determined to be 470.2 g/L ± 3.6 %. All replicates showed good correspondence. Equilibration was considered to be reached after 1 day. No observations arising doubts concerning the accuracy of the results and the validity of the study were made. The result is also applicable for the water free form of the test item.

Description of key information

The water solubility of the test item was determined to be 470.2 g/L ± 3.6 %. The result is also applicable for the water free form of the test item.

Key value for chemical safety assessment

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

Additional information

A study was performed according to OECD TG 105 and Regulation (EC) No. 440/2008 method A.6 in order to determine the water solubility of the test item in water by using the flask method (analytical method: HPLC). The mean water solubility was determined to be 470.2 g/L ± 3.6 %. All replicates showed good correspondence. Equilibration was considered to be reached after 1 day. No observations arising doubts concerning the accuracy of the results and the validity of the study were made. The result is also applicable for the water free form of the test item.