3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium tetrachlorozincate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

10 January 2017 to 28 February 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

2014

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

22.1 g/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

pH:

2.6

Details on results:

The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15 %. Based on this, the water solubility of the test material is given as the mean value of the analysed concentrations.
No test material was detected in the pre-treated sample from the blank water mixture.

Table 1: Water solubility of the test material

Stirring time (hours)	Analysed concentration (g/L)	Mean (g/L)	MD (%)	pH
24	21.8	22.1	4.8	2.6
48	21.7			2.6
72	22.7			2.6

Conclusions:

Under the conditions of this study, the water solubility of the test material at 20 °C was 22.1 g/L.

Executive summary:

The water solubility of the test material was determined in accordance with the standardised guidelines OECD 105, EU Method A.6 and US EPA OPPTS 830.7840 under GLP conditions.

Following a preliminary study, the flask method was considered to be the most appropriate.

Three aliquots between 5.33 and 5.34 g of the test material were weighed into glass vessels. To each vessel, 50 mL double distilled water was added. The vessels were placed on a magnetic stirring device at 19.8 ± 0.2 °C where the content of each vessel was stirred at 300 rpm for 24, 48 or 72 hours. As the blank, 50 mL double distilled water was stirred for 72 hours. After the stirring period, the water phases were centrifuged and diluted prior to analysis by UPLC.

Under the conditions of this study, the water solubility of the test material at 20 °C was 22.1 g/L. The pH of the aqueous samples was 2.6.

Description of key information

Under the conditions of this study, the water solubility of the test material at 20 °C was 22.1 g/L.

Key value for chemical safety assessment

Water solubility:

22.1 g/L

at the temperature of:

20 °C

Additional information

The water solubility of the test material was determined in accordance with the standardised guidelines OECD 105, EU Method A.6 and US EPA OPPTS 830.7840 under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

Following a preliminary study, the flask method was considered to be the most appropriate.

Three aliquots between 5.33 and 5.34 g of the test material were weighed into glass vessels. To each vessel, 50 mL double distilled water was added. The vessels were placed on a magnetic stirring device at 19.8 ± 0.2 °C where the content of each vessel was stirred at 300 rpm for 24, 48 or 72 hours. As the blank, 50 mL double distilled water was stirred for 72 hours. After the stirring period, the water phases were centrifuged and diluted prior to analysis by UPLC.

Under the conditions of this study, the water solubility of the test material at 20 °C was 22.1 g/L. The pH of the aqueous samples was 2.6.