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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 starting date: 26 October 2016 Experimental completion date: 04 January 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Other quality assurance:
other: Q/A
Type of method:
flask method
Specific details on test material used for the study:
Identification: Test item
Appearance/Physical state: clear amber viscous liquid
Purity: 100% product
Retest date: 24 June 2018
Storage conditions: room temperature, in the dark
Key result
Water solubility:
0.096 g/L
Conc. based on:
test mat. (dissolved fraction)
Loading of aqueous phase:
0.1 g/L
Temp.:
20 °C
Remarks on result:
other: The water solubility of the test item has been determined at 20.0 ± 0.5 °C
Remarks:
The water solubility of the test item has been determined at 20.0 ± 0.5 °C and a nominal loading rate of 0.1 g/L to be 6.89 x 10-2gTOC/L. Correcting this result to an equivalent concentration of test item (~9.6 x 10-2g/L) suggested the test item essentially fully dissolved/dispersed in water at a nominal 0.1 g/L loading rate.
Details on results:
Results

Preliminary Test

The preliminary estimates of water solubility at 20.0 ± 0.5 °C are shown in the following table:

Loading Rate (g/L) Concentration (gTOC/L) Equivalent Test Item Concentration (g/L) pH
0.1 6.13 x 10-2 ~8.6 x 10-2 7.7
1 0.700 ~0.98 8.1


Definitive Test

The results for the total organic carbon analysis are shown in the following table:

Solution TOC (mgTOC/L)
Matrix blank A 0.269
Matrix blank B 0.305
Sample 1A 66.0
Sample 1B 66.5
Sample 2A 67.8
Sample 2 B 68.0
Sample 3A 72.8
Sample 3B 72.6
The concentration (g/L) of test item in the sample solutions is shown in the following table:

Sample Number Concentration Equivalent Test Item Solution pH
(gTOC/L) Concentration (g/L)
1 6.62 x 10-2 ~9.3 x 10-2 7.5
2 6.79 x 10-2 ~9.5 x 10-2 7.7
3 7.27 x 10-2 ~0.102 7.7
Mean result: 6.89 x 10-2 gTOC/L at 20.0 ± 0.5 ºC
Mean corrected result: ~9.6 x 10-2 g/L at 20.0 ± 0.5 ºC

Discussion

On completion of the equilibration period, the definitive test samples were slightly cloudy solutions and test item had fully dispersed. After filtration, the samples were visually observed to be clear and colorless but exhibited a definitive Tyndall beam effect. These were also the observation of the 0.1 g/L loading rate preliminary sample. For the 1 g/L loading rate preliminary test sample, the sample was described as a cloudy solution while after filtration it was a hazy solution.

The conversion of the TOC concentrations to equivalent test item was performed to give an approximate concentration to show that the test item was essentially fully dispersed by analysis and complement the visual appraisal. An accurate value was not possible as the test item contained many components, so the calculation was based on just the representative structure to give an approximation.

Conclusions:
The water solubility of the test item has been determined at 20.0 ± 0.5 °C and a nominal loading rate of 0.1 g/L to be 6.89 x 10-2 gTOC/L. Correcting this result to an equivalent concentration of test item (~9.6 x 10-2 g/L) suggested the test item essentially fully dissolved/dispersed in water at a nominal 0.1 g/L loading rate.
Executive summary:

Water Solubility. 6.89 x 10-2 gTOC/L at 20.0 ± 0.5 °C from a nominal loading rate of 0.1 g/L using the flask method, designed to be compatible with 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. Correcting this result to an equivalent concentration of test item (~9.6 x 10-2 g/L) suggested the test item essentially fully dispersed in water.

Description of key information

The water solubility of the test item has been determined at 20.0 ± 0.5 °C and a nominal loading rate of 0.1 g/L to be 6.89 x 10-2gTOC/L. Correcting this result to an equivalent concentration of test item (~9.6 x 10-2g/L) suggested the test item essentially fully dissolved/dispersed in water at a nominal 0.1 g/L loading rate.

Key value for chemical safety assessment

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

Additional information

Water Solubility. 6.89 x 10-2 gTOC/L at 20.0 ± 0.5 °C from a nominal loading rate of 0.1 g/L using the flask method, designed to be compatible with 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. Correcting this result to an equivalent concentration of test item (~9.6 x 10-2 g/L) suggested the test item essentially fully dispersed in water.