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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2017-09-11 to 2017-09-15
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
587.55 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
>= 8.27 - <= 8.3

Preliminary Test

The water solubility of the test item was estimated to be ca. 543 g/L in a preliminary test, therefore the shake-flask method was used in the main test.

Calibration

The calibration solutions were prepared in 1 – 100 μg/mL range. The calibration samples were analysed by HPLC-UV method with two replicate injections from each. Concentration of the test item was calculated with the help of the calibration equation given in Table 2.

Table 1: Data of the calibration

Concentration
(µg/mL)
Mean of the Peak Areas
(n=3)
Accuracy (absolute value)
(%)
1.1 4398 12
2.1 9473 9
5.4 25673 3
10.7 54406 2
21.4 106516 1
53.5 274057 2
107.0 536366 0

Table 2: Regression data

Analytical occation Constant X coefficient R. Squared
15.09.2017 -344 5037 1.000

Table 3: Determination results of water solubility of test item

Sampling time Measured concentration of test item
(g/L)
Measured pH
Test vessel Mean
After 24h 565.05 580.75 8.30
593.67 8.28
583.51 8.27
After 48h 585.64 591.47 8.30
611.40 8.30
577.35 8.30
After 72h 584.32 590.43 8.30
592.27 8.30
594.69 8.30
Solubility of the test item (g/L) with the 95 % confidence interval: 587.55 ± 14.69 -
RSD %: 1 -
Ultrapure water - 6.9

The repeatability of the determination was < 15% and thus within the range required by the guidelines.

Conclusions:
The water solubility of the test item was determined to be 587.55 ± 14.69 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH between 8.27 to 8.30).
Executive summary:

A study was conducted according to OECD TG 105, Regulation (EC) No. 440/2008, method A.6 and OPPTS guideline No. 830.7840 in order to determine the water solubility of the test item by using the shake flask method. The calibration solutions were prepared in 1 – 100 μg/mL range. The calibration samples were analysed by HPLC-UV method with two replicate injections from each. The water solubility was determined with 3 replicates after 24, 48 and 72 hours. The mean water solubility of the test item was determined to be 587.55 ± 14.69 g/L (95 % confidence interval) at 20 °C ± 0.5 °C.

Description of key information

The water solubility of the test item was determined to be 587.55 ± 14.69 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH between 8.27 to 8.30).

Key value for chemical safety assessment

Water solubility:
587.55 g/L
at the temperature of:
20 °C

Additional information

A study was conducted according to OECD TG 105, Regulation (EC) No. 440/2008, method A.6 and OPPTS guideline No. 830.7840 in order to determine the water solubility of the test item by using the shake flask method. The calibration solutions were prepared in 1 – 100 μg/mL range. The calibration samples were analysed by HPLC-UV method with two replicate injections from each. The water solubility was tested with 3 replicates after 24, 48 and 72 hours. The mean water solubility of the test item was determined to be 587.55 ± 14.69 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (reference 4.8-1).