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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:
2016-06-24 to 2016-11-09
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
27 July 1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
Commission Regulation (EC) No 440/2008 of 30 May 2008
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Date of inspection: 05/07/2016; Date of issue: 28/10/2016
Type of method:
flask method
Key result
Water solubility:
0 g/L
Incubation duration:
24 h
Temp.:
20 °C
pH:
ca. 6.3 - ca. 6.9
Key result
Water solubility:
ca. 0 - ca. 0 g/L
Incubation duration:
24 h
Temp.:
20 °C
pH:
ca. 6.3 - ca. 6.9
Remarks on result:
other: Range of values
Details on results:
On completion of the equilibration period, the samples were clear and colourless with excess test item present within the test vessels. The solutions were decanted, avoiding excess test item prior to centrifugation. After centrifugation, the supernatant was taken for analysis.

The preliminary water solubility test indicated that the column elution method should have been performed as the solubility was less than 1x10-2 g/L. However, due to the physical nature of the test item, it was not possible to use this method; experience has shown that liquid test items coated onto glass beads cause these beads to adhere together forming a plug within the column and thus preventing water circulation.

The method of analysis showed some variability likely due to the low working level and the accuracy of the method at these low levels. Due to this, not all of the samples fell within ± 15% of the mean as specified in the test guidelines. There was however no obvious issues with the chromatography (e.g. contamination) which would account for the variability, and therefore all of the sample results were included in the overall result. The test item was deemed to have reached saturation.

The test item is a UVCB/multi-constituent compound, therefore all peaks were analysed as a group to determine the water solubility of the test item as a whole and not the individual constituents due to the limits of the chromatographic method.

Preliminary Test:

The preliminary estimate of water solubility was 5.0 x 10-4 g/L at 20.0°C.

Main test:

Typical chromatography is presented in the Appendix 1 (attached).

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

Solution

Mean peakarea

Standard 12.7

2.8497 x 106

Standard 12.9

3.1105 x 106

Blank

2.3957 x 104

Sample 1A

2.4516 x 105

Sample 1B

1.8679 x 105

Sample 2A

1.8498 x 105

Sample 2B

1.4128 x 105

Standard 12.8

2.5772 x 106

Standard 13.3

2.50186 x 106

Sample 3A

1.1757 x 105

Sample 3B

1.4896 x 105

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

Sample number

Time shaken at

~ 30 ºC (hours)

Time equilibrated at 20 ºC (hours)

Concentration (g/L)

Average Concentration (g/L)

Solution pH

1A

24

24

4.22 x 10-5

3.71 x 10-5

6.3

1B

24

24

3.21 x 10-5

2A

48

24

3.18 x 10-5

2.81 x 10-5

6.9

2B

48

24

2.43 x 10-5

3A

72

24

2.41 x 10-5

2.73 x 10-5

6.3

3B

72

24

3.05 x 10-5

Mean concentration  :          3.08 x 10-5 g/L at 20.0 ± 0.5 ºC
Range                        :          2.73 x 10-5 to 3.71 x 10-5 g/L
Standard Deviation    :          5.47 x 10-6

Validation:

The linearity of the detector response with respect to concentration was assessed over the nominal concentration ranges of 0.5 to 15 mg/L and 5.0 to 20.0 mg/L. The results were satisfactory with a correlation coefficient (r) of 1.000 and 0.998 being obtained respectively.

Recovery of analysis of the sample procedure was assessed and proved adequate for the test, see following table for details.

Recovery data is shown in the following table:

Nominal concentration

(mg/L)

Recovery range (%)

Mean recovery (%)

0.632

81.3 to 85.9

83.9

0.0506

69.8 to 80.2

75.0

Concentrations have not been corrected for recovery of analysis.

 

Conclusions:
A water solubility value of 3.08 x 10-5 g/L at 20.0 ± 0.5 °C was determined for the substance using a relevant test method and in compliance with GLP. The result is considered to be reliable.
Executive summary:

The water solubility of the test item has been determined to be 3.08 x 10-5 g/L of solution at 20.0 ± 0.5 °C.

Description of key information

Water solubility: 3.08 x 10-5 g/L at 20.0 ± 0.5 °C (OECD 105)

Key value for chemical safety assessment

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

Additional information

Water solubility values in the range 2.73E-05 to 3.71E-05 g/L and a mean water solubility value of 3.08E-5 g/L at 20.0 ± 0.5°C were determined for the whole substance in a study conducted in accordance with OECD Test Guideline 105 and in compliance with GLP. The result is considered to be reliable.