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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 2017-11-23 to 2018-04-27
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
01/2014
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
other: flask method with slow-stirring experiment

Test material

Constituent 1
Chemical structure
Reference substance name:
Triisononylamine
EC Number:
254-104-8
EC Name:
Triisononylamine
Cas Number:
38725-13-2
Molecular formula:
C27H57N
IUPAC Name:
tris(7-methyloctyl)amine
Test material form:
liquid

Results and discussion

Water solubility
Key result
Water solubility:
8.43 µg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
8.5
Remarks on result:
other: ± 0.68 µg/L
Details on results:
After a stirring time of 24 hours, 48 hours and 72 hours at 30 °C, the samples were equilibrated for another 24 hours at 20 °C. Afterwards, the samples were taken through a tap at the bottom of the flask, checked for Tyndall effect, diluted and analyzed by HPLC with MS/MS detection. The result found after an incubation time of 72 hours exceeded by more than 15 % (170 %) the result found after an incubation time of 48 hours. To verify whether the saturation was achieved, the test was repeated for 216, 240 and 264 hours at 30 °C followed by 24 hours equilibration time at 20 °C. Afterwards, the samples were taken through a tap at the bottom of the flask, checked for Tyndall effect, diluted and analyzed by HPLC with MS/MS detection. The relative standard deviation measured for the 3 tests was high (18.7 %) and let suppose that the saturation was not achieved in the 3 vessels. To verify whether the saturation was achieved, the test was prolonged for another 90 hours at 30 °C followed by 24 hours equilibration time at 20 °C giving a total stirring time of 306 hours, 330 hours and 354 hours. There was no Tyndall effect observed in the test samples.
According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. After 330 hours in comparison to 306 hours, 12 % decrease of the test item concentration was observed. The acceptance criterium was therefore fulfilled, the saturation was achieved after 306 hours. The study is therefore valid.

Any other information on results incl. tables

Results of the Water Solubility of TRIISONONYLAMINE

Sample No.

Stirring Time at 30°C

[hours]

Measured Concentration
x

[ng/L]

Sample Preparation Factor
F

Concentration of Test Item Determined
c
[µg/L]

Water Solubility Mean Value
[µg/L]

Difference with Sample
Previously Measured
[%]

Overall Mean ± Std. Dev.

[µg/L]

9

354

453

20

9.05

7.98

- 1

8.43
±0.68

346

20

6.91

8

330

406

20

8.13

8.09

- 12

402

20

8.05

7

306

468

20

9.36

9.21

+ 33

453

20

9.07

6*

264

324

20

6.49

6.91

- 12

 

367

20

7.34

5*

240

384

20

7.67

7.83

- 21

400

20

7.99

4*

216

492

20

9.85

9.91

+ 45

499

20

9.98

3*

72

67.4

102

6.87

6.84

+ 170

66.7

102

6.80

2*

48

25.2

102

2.57

2.53

+ 6

24.3

102

2.48

1*

24

22.7

102

2.31

2.39

-

24.2

102

2.46

The tabulated values of the samples represent rounded results obtained by calculation using the exact data.

* Was not used for the calculation of overall mean, as the saturation was achieved after 306 hours.

 

Applicant's summary and conclusion

Conclusions:
During this study, the water solubility of TRIISONONYLAMINE was determined at 20 °C using OECD Guideline for the Testing of Chemicals, No. 105 adapted to a slow stirring design. The water solubility was found to be 8.43 µg/L ± 0.68 µg/L at a pH value of 8.5.
Executive summary:

During this study the water solubility of TRIISONONYLAMINE was determined based on the OECD Guideline for the Testing of Chemicals, No. 105: Water Solubility, modified to a slow-stirring test design and following GLP.

For each time point, the test vessel was filled with 840 mL water. A defined amount of the test item (about 120 mg) was applied on the water surface of each of three glass vessels. The vessels were fitted with glass stoppers. The flasks were kept at about 30 °C via water surrounding circulation and stirred slowly (less than 100 rpm) to avoid formation of an emulsion.

The vessels were incubated for 24 hours, 48 hours and 72 hours, respectively. After that incubation period, the temperature was reduced to 20 °C and the samples were re-equilibrated for 24 hours without stirring. The concentration of the test item in the aqueous solution was determined by HPLC with MS/MS detection. Since the saturation of the water could not be demonstrated after 72 hours, the study was prolonged.

New test vessels were filled with 840 mL water in the same manner as for the first test. After 216, 240 and 264 hours stirring at 30 °C and a re-equilibration period of 24 hours at 20 °C, the concentration of the test item in the aqueous solutions was determined by HPLC with MS/MS detection. Since the saturation of the water could not be demonstrated after 264 hours, the study was prolonged. The same vessels were further incubated at 30 °C for another 90 hours giving final stirring times at 30 °C of 306 hours, 330 hours and 354 hours. After that additional incubation period, the temperature was reduced to 20 °C and the samples were re-equilibrated for 24 hours without stirring. The concentration of the test item was determined in the aqueous solutions by HPLC with MS/MS detection.

According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. After 330 hours in comparison to 306 hours, 12 % decrease of the test item concentration was observed. The acceptance criterium was therefore fulfilled, the saturation was achieved after 306 hours. The study is therefore valid.

The water solubility of TRIISONONYLAMINE at 20 °C was found to be 8.43 ± 0.68 µg/L at a mean pH of 8.4.