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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2 Dec 2019 - 23 Jan 2020
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
no
Type of method:
column elution method
Water solubility:
>= 6 - <= 24 mg/L
Temp.:
20 °C
pH:
6.2
Remarks on result:
other: since the individual components cannot be quantified individually, the water solubility of the test item is given as the range 6-24 mg/L

Preliminary test:

Experiment

Water [mL]

Test Item [mg]

Result

A

2.0

102.9

Hazy mixture

B

8.0

2.9

Hazy mixture

C

8.0

4.6

Hazy mixture

D

25

2.2

Hazy mixture

E

100

3.7

Hazy mixture

Based on these results, the column elution method was considered suitable for the determination of the water solubility of the test item.

Main test results

The concentrations of the test item in different test solutions were calculated automatically using the equation of the calibration curve. The results are shown in the following table (pH = 6.2):

Flow rate (mL/h)

Fraction No. (combined aliquots)

Concentration of test item (µg/L), using marker

Peak 1

Peak 2

25.0

1(1-2)

20750

6000

2(3-4)

20500

5750

3(5-6)

23500

8000

4(7-8)

17500

6000

5(9-10)

23000

6500

6(11-12)

22500

5750

7(13-14)

22250

4750

8(15-16)

20250

6500

Mean (RSD)

21.3 mg/L (28.7%)

7.03 mg/L (15.6%)

12.5

1(1-2)

22500

5750

2(3-4)

20750

5750

3(5-6)

29000

8000

4(7-8)

25000

6000

5(9-10)

25000

6500

6(11-12)

21000

5750

7(13-14)

20750

4750

8(15-16)

24250

6500

Mean (RSD)

23.5 mg/L (12.2%)

6.13 mg/L (15.3%)

Depending on the marker signal used for the determination of the water solubility of test items, values of 22.4 mg/L and 6.6 mg/L were obtained, respectively for peaks 1 and 2. The test item is a composition of constituents with different solubilities. In the aqueous fractions the more soluble material will be concentrated, so that the actual water solubility will be a value between those concentrations.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
13-29 Aug 2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
visual assessment
GLP compliance:
no
Type of method:
flask method
Temp.:
20 °C
pH:
7.11
Remarks on result:
other: attempted to determine as TOC; no value obtained for any sample

The test substance forms emulsions in concentrations of 1.00 g/L in MilliQ water.

Description of key information

6 -24 mg/L at 20 °C, pH 6.2 (OECD 105, column elution method)

Key value for chemical safety assessment

Water solubility:
24 mg/L
at the temperature of:
20 °C

Additional information

Since the constituents cannot be quantified individually, the water solubility is given as a range.

Earlier attempt of water solubility determination as TOC value (OECD 105) was unsuccessful.