1,3,4-Thiadiazole-2(3H)-thione, 5-(tert-dodecyldithio)-

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 January 2018 to 12 January 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

0.036 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

6

Details on results:

PRELIMINARY RESULTS
- The test material was a liquid. The preliminary test indicated that the test material was soluble at a level of less than 1 g/L.

DEFINITIVE TEST RESULTS
- Samples were taken from the three flasks at two time points: Day 2 and Day 3. Table 1 summarises the analytical measurements from the experiment.
- The between day difference between Day 2 and 3 was less than 15%. No other sampling was required. The amount of test material dissolved in water was 36.33 mg/L. The test temperature was 19.5 ± 0.5°C.
- The test material had a water solubility of 36 mg/L (0.036 g/L) at 20°C as determined by OECD Test No. 105.

OBSERVATIONS
- In the preliminary test, the test material in water is a clear solution with excess test material remaining in white globules adhering to the bottom of the vessel. With vigorous shaking it did break to pieces, but the solution remained clear with the white globules at the bottom of the vessel.

Table 1: Results Summary

Sample	Day 2 (mg/L)	pH	Day 3 (mg/L)	pH
Sample 1	22	6	28	6
Sample 2	53	6	57	6
Sample 3	32	6	26	6
Timepoint’s Average Test Material Concentration	35.67		37.00
Between Day Average Test Material Concentration	36.33 mg/L
Between Day Difference: Relative Percent Difference (RPD)s	3.67 %

Conclusions:

Under the conditions of this study the test material had a water solubility of 0.036 g/L at 20.0°C.

Executive summary:

The water solubility of the test material was determined in accordance with the standardised guideline OECD 105, under GLP conditions using the flask method.

A preliminary test was conducted in order to approximate the amount of test material that would dissolve in water and the time required to reach saturation. The preliminary test indicated that the test material was soluble at a level of less than 1 g/L.

The flask method was used for determination of solubility. Based on the preliminary test results, three containers with lids were prepared containing 7 grams of the test material in 700 mL of water for the definitive test. Containers were placed in a water bath at 20.0 ± 0.1°C with constant orbital shaking at 120 rpm until equilibrium was reached. Equilibrium was determined by two consecutive daily measurements of the dissolved test material being within 15% of each other. An aliquot from each container was collected after Day 2 and 3 for analysis.

The between day difference between Day 2 and 3 was less than 15%. No other sampling was required. The amount of test material dissolved in water was 36.33 mg/L. The test temperature was 19.5 ± 0.5°C.

Under the conditions of this study the test material had a water solubility of 0.036 g/L at 20.0°C.

Description of key information

Under the conditions of the study the test material had a water solubility of 0.036 g/L at 20.0°C.

Key value for chemical safety assessment

Water solubility:

0.036 g/L

at the temperature of:

20 °C

Additional information

The water solubility of the test material was determined in accordance with the standardised guideline OECD 105, under GLP conditions using the flask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

A preliminary test was conducted in order to approximate the amount of test material that would dissolve in water and the time required to reach saturation. The preliminary test indicated that the test material was soluble at a level of less than 1 g/L.

The flask method was used for determination of solubility. Based on the preliminary test results, three containers with lids were prepared containing 7 grams of the test material in 700 mL of water for the definitive test. Containers were placed in a water bath at 20.0 ± 0.1°C with constant orbital shaking at 120 rpm until equilibrium was reached. Equilibrium was determined by two consecutive daily measurements of the dissolved test material being within 15% of each other. An aliquot from each container was collected after Day 2 and 3 for analysis.

The between day difference between Day 2 and 3 was less than 15%. No other sampling was required. The amount of test material dissolved in water was 36.33 mg/L. The test temperature was 19.5 ± 0.5°C.

Under the conditions of this study the test material had a water solubility of 0.036 g/L at 20.0°C.