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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 2017-07-27 to 2017-07-31
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
TOXI-COOP Toxicological Research Center Zrt, H-8230 Balatonfüred, Arácsi u. 97-99, Hungary (+ 5 further Hungarian addresses)
Type of method:
flask method
Key result
Water solubility:
454 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
>= 2.48 - <= 2.75

Calibration

The calibration solutions were prepared in 1 – 100 μg/mL range. The calibration samples were analysed by HPLC-UV method with three replicate injections from each.

Table 1: Data of the calibration

Concentration
(µg/mL)		 Mean of the Peak Areas
(n=3)		 Accuracy (absolute value)
(%)
1.07 7722 6
2.14 16521 3
5.35 39184 1
10.7 81430 4
21.4 159845 2
53.5 382929 2
107 786982 0

Table 2: Regression data

Analytical occasion Constant X Coefficient R. Squared
July 31, 2017 373 7318 0.9998

Table 3: Results of the determination of water solubility of the test item (main test)

Sampling time Measured concentration of test item
(g/L)		 Measured pH
Test vessels Mean with the 95%
confidence intervals
After 24h 457 456 ± 7.5 2.73
459 2.75
453 2.74
After 48h 454 451 ± 4.4 2.61
451 2.60
450 2.60
After 72h 458 454 ± 7.9 2.56
452 2.49
454 2.48
Solubility of the test item (g/L): 454 ± 5.9  -
RSD%: 1  -
pH of ultra-pure water:  -  6.44
Conclusions:
In conclusion, the water solubility of the test item was determined to be 454 ± 5.9 g/L (95% confidence interval) at 20 °C ± 0.5 °C using the shake-flask.
Executive summary:

A study was conducted according to OECD TG 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 in order to determine the water solubility of the test item by using the shake flask method. Calibration solutions were prepared in 1 - 100 μg/mL range and the test item was analysed for 24, 48 and 72 hours by HPLC method with 3 replicates each. The water solubility of the test item was determined to be 454 ± 5.9 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 454 ± 5.9 g/L (95% confidence interval) at 20 °C ± 0.5 °C using the shake-flask method.

Key value for chemical safety assessment

Water solubility:
454 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 830.7840 in order to determine the water solubility of the test item by using the shake flask method (reference 4.8-1). Calibration solutions were prepared in 1 - 100 μg/mL range and the test item was analysed for 24, 48 and 72 hours by HPLC method with 3 replicates each. The water solubility of the test item was determined to be 454 ± 5.9 g/L (95% confidence interval) at 20 °C ± 0.5 °C.