Fatty acids, tall-oil, compds. with diethanolamine

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From November 18, 2011 to December 12, 2011

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

yes

Remarks:

, due to the multi-component nature of the substance, calculation of water solubility according to EU A.6 protocol was not possible. Hence formal testing was requested by the sponsor and this was considered as an acceptable deviation.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

0.132 g/L

Temp.:

20 °C

pH:

5.51 - 6.42

Remarks on result:

other: determined by formal analysis using HPLC

Details on results:

See below

Results of preliminary estimation:

Mass of sample (mg)	Volume of water in which sample dissolves (mL)	Estimated solubility (g.L-1)	Analysis method
1.8	130	<1	Shake Flask

Estimated Water Solubility (g/L): <1

Results of formal solubility test (analytical determinations):

Flask No.	pH	Absorbance 1	Absorbance 2	Mean concentration (g/L)
1	5.51	3.31	3.31	0.13
2	6.18	3.44	3.44	0.14
3	6.42	3.31	3.31	0.14

Mean water solubility (g/L): 0.132

Flask 1: 44.2 mg was added to 100 mL water and then the flask was shaken for 48 hours.

Flask 2: 45.6 mg was added to 100 mL water and then the flask was shaken for 72 hours.

Flask 3: 42.8 mg was added to 100 mL water and then the flask was shaken for 96 hours.

Conclusions:

Moderately soluble (100-1000 mg/L)

Under the test conditions, the water solubility of the test substance was determined to be 0.132 g/L (i.e., moderately soluble) at 20°C.

Executive summary:

A study was performed to determine the water solubility of test substance according to EU Method A.6 in compliance with GLP.

 

In a preliminary experiment conducted using the shake flask method, the water solubility was <1 g/L. Further, as the test substance is of multicomponent nature, a formal testing using HPLC analysis was requested by the sponsor.

In this method, weighed samples of the test substance were added into three glass vessels fitted with glass stoppers containing 100 mL of water. The closed vessels were then agitated at 20°C in a reciprocal laboratory shaker set at approximately 175 rpm. This was followed by centrifugation and filtration through a 0.45 μm acro-disk (to eliminate any particulates). After filtration the concentration of the test substance, in the supernatant was determined by HPLC method. Under the test conditions, the water solubility of the test substance was determined to be 0.132 g/L (i.e., moderately soluble) at 20°C.

Description of key information

The water solubility was determined according to EU Method A.6 (Younis, 2012)

Key value for chemical safety assessment

Water solubility:

132 mg/L

at the temperature of:

20 °C