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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
27th July 1995
Deviations:
no
GLP compliance:
yes
Type of method:
column elution method
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: A0076
- Expiration date of the lot/batch: 2021

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Ambient (15±10°C), in the dark
- Stability under test conditions: Stable

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: The sample (1.00g) was added in stages to an agate pestle containing clean dry sand (0.65g) and ground to a homogeneous powder. This powder was added to the elution column.

FORM AS APPLIED IN THE TEST (if different from that of starting material) : homogeneous powder

Water solubility:
707.602 mg/L
Conc. based on:
element (dissolved fraction)
Loading of aqueous phase:
1 g/L
Incubation duration:
24 h
Temp.:
20.4 °C
pH:
7
Remarks on result:
other: Based on azelaic acid, results calculated using data from columns A and C, %RSD = 22.964
Water solubility:
53.862 mg/L
Conc. based on:
element (dissolved fraction)
Loading of aqueous phase:
1 g/L
Incubation duration:
24 h
Temp.:
20.1 °C
pH:
7
Remarks on result:
other: Based on lithium, Results calculated using data from columns A and C, %RSD = 35.759
Details on results:
Results from columns A and C were used to calculate the average concentration of Azelaic acid and Lithium in the test elute. Column B was considered an outlier as these samples showed a significantly lower elute concentration than samples of A and B.
In order to satisfy the validity criteria of the OECD 105 guideline, the results obtained from two separate columns should not differ by more than 30%.
In the analysis of Azelaic acid this criteria was satisfied (%RSD of replicate results from columns A and C was 22.964). For lithium, the %RSD from columns A and C was 35.759. Although this exceeds the guideline value, after running columns three sequentially lower flow rates it was found that the detectable solubility of Lithium was not flow or temperature dependant. As the material is an UVCB substance with a number of constituents, this variation may then be a result of the distribution of lithium in the sample. It was therefore considered appropriate to report the lithium result as the average of columns A and C. Within-column results for all columns differed by <30%. Samples chosen for analysis were consecutive.

Table 1. Summary of the water solubility test results for the test item.

Column

Loading mass (g)

Flow rate (mL/h)

pH

Temp (°C)

Mean concentration (mg/L)

Azelaic acid

Standard deviation

Lithium

Standard deviation

A

1.00

25

7.0

20.4

876.386

16.905

71.346

13.823

B

1.00

12.5

7.0

20.1

46.313

7.213

6.335

1.398

C

1.015

6.25

7.1

20.1

566.950

18.735

38.876

3.872

 

Results from columns A and C were used to calculate the average concentration of azelaic acid and lithium in the test elute. Column B was considered an outlier as these samples showed a significantly lower elute concentration than samples of A and B.

Conclusions:
The solubility of the test item was determined to be 707.602 mg/l based on azelaic acid and 53.862 mg/l based on lithium at 18.9±2.1°C.
Executive summary:

The water solubility study was conducted in accordance with OECD test guideline 105 (column elution method). The test was performed using three columns (A, B and C) with different flow rate (25 mL/h, 12.5 mL/h and 6.25 mL/h, respectively). For each column, six to seven successive eluate fractions were collected and analyzed by HPLC-UV method for the azelaic acid and ICP-MS method for lithium.

Results calculated using data from columns A and C. Column B was considered an outlier as these samples showed a significantly lower elute concentration than samples of A and B.

The solubility of the reaction mass of amines, hydrogenated tallow alkyl and azelaic acid and lithium hydroxide during column elution was determined to be 707.602 mg/L based on azelaic acid and 53.862 mg/L based on lithium at 18.9±2.1°C.

The water solubility study was conducted in accordance with OECD test guideline 105 (column elution method) and is therefore considered reliable without restrictions (Klimisch 1).

Description of key information

The solubility of the test item was determined to be 707.602 mg/L based on azelaic acid and 53.862 mg/L based on lithium at 18.9±2.1°C.

Key value for chemical safety assessment

Additional information

The water solubility study (Crane 2019) was conducted in accordance with OECD test guideline 105 using the column elution method. The test was performed with three columns (A, B and C) with different flow rate (25 mL/h, 12.5 mL/h and 6.25 mL/h, respectively). For each column, six to seven successive eluate fractions were collected and analyzed by HPLC-UV method for the azelaic acid and ICP-MS method for lithium.

Results calculated using data from columns A and C. Column B was considered an outlier as these samples showed a significantly lower elute concentration than samples of A and B.

The solubility of the reaction mass of amines, hydrogenated tallow alkyl and azelaic acid and lithium hydroxide during column elution was determined to be 707.602 mg/L based on azelaic acid and 53.862 mg/L based on lithium.

The water solubility study was conducted in accordance with OECD test guideline 105 (column elution method) and is therefore considered reliable without restrictions (Klimisch 1).