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Physical & Chemical properties

Water solubility

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2017-08-21 to 2017-09-01
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 ZRT., 8230 Balatonfüred, Arácsi út 97., Hungary
Type of method:
flask method
Key result
Water solubility:
28.34 g/L
Conc. based on:
test mat.
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
>= 1.73 - <= 1.81
Details on results:
Preliminary test
The water solubility of the test item was estimated to be ca. 32.9 g/L in a preliminary test, therefore the shake-flask method was used in the main test.
Calibration
The calibration solutions were prepared in 0.5 – 50 μg/mL range. The calibration samples were analysed by HPLC-UV method with two replicate injections from each.

Results of the determination of water solubility of the test item

Sampling time

Measured concentrationofTest Item
(g/L )

Measured pH

Test vessels

Mean

After 24h

27.42

27.50

1.73

27.37

1.81

27.72

1.74

After 48h

28.75

28.81

1.74

28.89

1.74

28.79

1.74

After 72h

28.74

28.71

1.74

28.76

1.73

28.64

1.75

Solubility ofthe test item (g/L) with the 95% confidence interval:

28.34 ± 1.81

-

RSD %:

3

-

Ultrapure Water

-

6.8

Conclusions:
The water solubility of the test item was determined to be 28.34 ± 1.81 g/L (95 % confidence interval) at 20 °C ± 0.5 °C using the shake-flask method.
Executive summary:

The water solubility was determined according to OECD 105, Regulation (EC) No. 440/2008 Method A.6 and OPPTS 830.7840 using the shake flask method with HPLC analysis. About 7.5 mg test substance were weighed into 100 mL stoppered Erlenmeyer flasks (three parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 50 mL ultra-pure water, the flasks were agitated at 30 °C. After one and two days, another three samples were prepared and added to shaker, respectively. After the pre-incubation time the nine test vessels were removed and re-equilibrated at 20 °C for 24 hours. Thereafter the content of the flasks was centrifuged and the concentration in the clear aqueous phase was determined by HPLC. The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 28.34 ± 1.81 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH 1.73 to 1.81).

Description of key information

The water solubility of the test item was determined to be 28.34 ± 1.81 g/L (95 % confidence interval) at 20 °C ± 0.5 °C using the shake-flask method.

Key value for chemical safety assessment

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

Additional information

The water solubility was determined according to OECD 105, Regulation (EC) No. 440/2008 Method A.6 and OPPTS 830.7840 using the shake flask method with HPLC analysis (reference 4.8-1). About 7.5 mg test substance were weighed into 100 mL stoppered Erlenmeyer flasks (three parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 50 mL ultra-pure water, the flasks were agitated at 30 °C.After one and two days, another three samples were prepared and added to shaker, respectively.After the pre-incubation time the nine test vessels were removed and re-equilibrated at 20 °C for 24 hours. Thereafter the content of the flasks was centrifuged and the concentration in the clear aqueous phase was determined by HPLC.The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 28.34 ± 1.81 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH 1.73 to 1.81).