N,N-bis(2-hydroxyethyl)undec-10-enamide

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 February 23, 2017 to September 18, 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:

not specified

Type of method:

other: Preliminary and main test according to A.6 method, calculation by ACD PERCEPTA software

Key result

Water solubility:

> 0.47 - < 5.3 g/L

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: pH not specified

Details on results:

- Calculation using the ACD PERCEPTA software Release 2016 (Build 2921) gave the estimated water solubility of the test substance of approx. 4.61 g/L at the pH range of: 1.7 to 8.

- Main test
It was not possible to receive a clear solution by centrifugation and filtration at room temperature. The turbity of the solutions seem to be temperature-dependent. Below 19.3 °C the solution is clear, at 21.4 °C it is completely cloudy. An Aliquot of the 24 h-sample was analysed by GC, a second aliquot was evaporated and weighed. Gravimetrically 5.26 g/L was determined and by GC after silylation 2.8 g/L (convert to product approx. 3 g/L).
Determination of the CMC (critical micelle concentration) at 25 °C: The surface tension of a filtrated 1 g/L solution was determined to approx. 29 mN/m. The resulting solution is visual clear, but it is a colloidal solution.
CMC measurement with 1g/L of the test substance (25 °C): The test gives 0.56 g/L as result.
In a second test with 5.5 g/L, cloudy suspension, the result was 0.47 g/L, but the curve is disturbed.

Conclusions:

Under the study conditions, the estimated water solubility of the test substance is in the range of 0.47 g/L – 5.3 g/L.

Executive summary:

A study was conducted to determine the solubility of the test substance according to OECD Guideline 105 and EU Method A.6. Calculation using the ACD PERCEPTA software Release 2016 (Build 2921) gave the estimated water solubility of the test substance of approx. 4.61 g/L. In consideration of the preliminary test and the estimated value, a main test according to A.6 was started with approx. 25 g/L (five-fold excess) using the slow stirring method. Samples were taken after 24 h, 48 h, and 72 h. It was not possible to receive a clear solution by centrifugation and filtration at room temperature. The turbity of the solutions seem to be temperature-dependent. Below 19.3 °C the solution is clear, at 21.4 °C it is completely cloudy. An Aliquot of the 24 h-sample was analysed by GC, a second aliquot was evaporated and weighed. 2.8 g/L of the test substance was detected in the chemical analysis and 5.26 g/L was determined gravimetrically. Subsequently, CMC (critical micelle concentration) at 25 °C was measured. CMC measurement with 1g/L of the test substance (25 °C) gives 0.56 g/L and CMC measurement at 5.5 g/L of the test substance cloudy suspension results with 0.47 g/L. Under the study conditions, the estimated water solubility of the test substance is in the range of 0.47 g/L – 5.3 g/L (Mund, 2017).

Description of key information

The water solublity was determined according to OECD Guideline 105 and EU Method A.6 and by calculation using the ACD PERCEPTA software (Mund, 2017).

Further water solubility testing according to OECD Guideline 105 is planned.

Key value for chemical safety assessment

Water solubility:

5.3 g/L

at the temperature of:

25 °C

Additional information

The estimated water solubility of the test substance is in the range of 0.47 g/L – 5.3 g/L (Mund, 2017).