p-nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14 - 16 March 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

yes

Remarks:

see principles of method if other than guideline

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Regulation (EC) No 440/2008

Deviations:

yes

Remarks:

see principles of method if other than guideline

Principles of method if other than guideline:

Due to high water solubility of the test item, estimated in a preliminary test, a modified TG OECD 105 design was conducted. Instead of equilibrating a large amount of test item with water by stirring over several days and subsequently separating the test item from the saturated solution, water was added in a stepwise procedure to a defined amount of test item until complete dissolution occurred.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

>= 782 g/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

23 °C

pH:

6

Details on results:

Preliminary test
The water solubility of the test item was determined to be >1000 g/L.

Main test
The results are given in the table in the next section. The water solubility was determined as the mean of the replicates analysed with HPLC. As this method does not ensure complete saturation of the solution, it is given as minimum value in mass per volume of solution. The test is satisfactory, if the concentrations of the three vessels do not differ by more than 15%.

HPLC determinations:

Test vessel	pH	Analysed concentration A (g/L)	Analysed concentration B (g/L)	Mean (g/L)
No. 1	6	402	399	401
No. 2	6	416	425	420
No. 3	6	425	412	419
			Overall Mean	413

The concentrations of the three vessels differed by 5% (validity criterion given by OECD is met).

The determined concentration of p-Nitrobenzoic acid was 413 g/L. Based on a p-Nitrobenzoic acid content of 52.8%, the determined water solubility of the test item “p-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)” (CAS no. 7394-38-9) is >=782 g/L.

Conclusions:

The water solubility of the test item “p-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)” (CAS no. 7394-38-9) was determined according to a modified TG OECD 105 design.
The determined water solubility of p-Nitrobenzoic acid was 413 g/L. Based on a p-Nitrobenzoic acid content of 52.8%, the determined water solubility of the test item “p-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)” (CAS no. 7394-38-9) is >=782 g/L at pH 6 and at 23°C.

Executive summary:

The water solubility of the test item “p-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)” (CAS no. 7394-38-9) was determined according to a modified TG OECD 105 design.

To this end, increasing volumes of water were added in a stepwise procedure, to approximately 1 g of the test item at 22 ± 2 °C until complete dissolution, which occurred after addition of 0.5 mL of water. The concentration of test item was subsequently determined by HPLC with UV detection based on the analysis of the test item component p-nitrobenzoic acid.

The determined concentration of p-Nitrobenzoic acid was 413 g/L. Based on a p-Nitrobenzoic acid content of 52.8%, the determined water solubility of the test item “p-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)” is >=782 g/L at pH 6 and at 23°C.

Description of key information

The water solubility of the test item “p-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)” was determined in a GLP study according to a modified TG OECD 105 design (Klimisch 1, Arcadis, 2017). The determined water solubility of p-Nitrobenzoic acid was 413 g/L. Based on a p-Nitrobenzoic acid content of 52.8%, the determined water solubility of the test item “p-Nitrobenzoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)” is >= 782 g/L at pH 6 and at 23°C.

Key value for chemical safety assessment

Water solubility:

782 g/L

at the temperature of:

23 °C