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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 May 2017 - 16 July 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
27 July 1995
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
< 0 g/L
Conc. based on:
test mat.
Remarks:
Sulphonate components
Temp.:
20 °C
pH:
> 7 - < 8
Water solubility:
< 0.001 g/L
Conc. based on:
test mat.
Remarks:
Amine components
Temp.:
20 °C
pH:
> 7 - < 8
Details on results:
The test item consists of a mixture of alkyl amines and sulfonate compounds. It was not possible to develop an analytical method to detect all of these components using a single analysis. Therefore the amines and sulfonates were analyzed separately by LC-MS using positive mode to detect the amines and negative mode to detect the sulfonates. As the exact composition and relative quantities of the different components in the test item were not known, each analysis was performed using the total weight of test item to calculate the concentration of the calibration standards. This means that for each analysis the calculated sample concentrations are an over estimate of the solubility of the components being analyzed, as the calculation does not account for the contribution to the standard concentration of the other set of components. For this reason the solubilities of the amine and sulfonate components have been reported as limit values of less than the analyzed results.

Amine Analysis











































Solution



Mean Peak Area Ratio



Standard 0.209 mg/L4



33.236



Standard 0.207 mg/L5



35.584



Sample 1A



3.832



Sample 1B



3.728



Sample 2A



9.708



Sample 2B



8.859



Sample 3A



7.810



Sample 3B



7.461




4 Calibration Standard
5 Check Standard


 


Sulfonate Analysis










































 Solution



Mean Peak Area Ratio



Standard 10.9 mg/L4



1.633



Standard 10.6 mg/L5



1.531



Sample 1A



0.479



Sample 1B



0.484



Sample 2A



0.197



Sample 2B



0.168



Sample 3A



0.135



Sample 3B



0.141






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)



Amines Concentration (g/L)



Sulfonates Concentration (g/L)



Solution pH



1



24



4.75 x 10-5



6.43 x 10-5



7,6



2



48



1.17 x 10-4



2.44 x 10-5



7,4



3



72



9.60 x 10-5



1.84 x 10-5



7,1



 

Conclusions:
The water solubility for the test material is 10.6 x 10-4 g/L for the amine components and less than 6.43 x 10-5 g/L for the sulfonate components.
Executive summary:

An experimental study was carried out to determine the water solubility of the registered substance according the flask method (OECD 105) and GLP.


 


The water solubility for the test material is less than 10.6 x 10-4 g/L for the amine components ans less than 6.43 10-5 g/L for the sulfonate components of solution at 20.0 +0.5°C, designed to be compatible with Method A.6 Water Solubility of Commission Regulation No 440/2008, Method 105 of hte OECD Guidelines for Testing of Chemicals and Method 830.7840 of the OCSPP Guidelines.

Description of key information

An experimental study was carried out to determine the water solubility of the registered substance according the flask method (OECD 105) and GLP. The water solubility for the test material is less than 10.6 x 10 -4 g/L for the amine components and less than 6.43 10 -5 g/L for the sulfonate components of solution at 20.0+0.5°C.

Key value for chemical safety assessment

Water solubility:
64.3 µg/L
at the temperature of:
20.5 °C

Additional information