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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:
27 Jan - 29 May 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
no
Type of method:
column elution method
Water solubility:
> 2.15 - < 910.5 µg/L
Temp.:
20 °C
pH:
6
Details on results:
The test item consists of 3 major components showing different behaviour in the column elution experiment.

Quantitative determination of the analyte:

The test item shows 3 major peaks in the gas chromatograms (C16 FA, C16 FA 1EO, C16FA 2 EO). All three of these main components were evaluated. The results are shown in the Table:

Flow rate [mL/h]

Fraction No.

Test item [µg/L]

C16 0EO

C16 1EO

C16 2EO

6.25

1(1-2)

8.34

5.77

6.99

2(3-4)

8.93

11.66

13.01

3(5-6)

7.33

< 2.15

< 6.45

4(7-8)

5.47

< 2.15

< 6.45

5(9-10)

5.56

< 2.15

< 6.45

6(11-12)

6.08

< 2.15

< 6.45

7(13-14)

4.84

< 2.15

< 6.45

8(15-16)

6.70

< 2.15

< 6.45

3.25

1(1-2)

3.87

< 2.15

< 6.45

2(3-4)

2.62

< 2.15

< 6.45

3(5-6)

2.46

< 2.15

< 6.45

4(7-8)

8.86

< 2.15

< 6.45

5(9-10)

3.83

< 2.15

< 6.45

6(11-12)

3.26

< 2.15

< 6.45

7(13-14)

3.27

< 2.15

< 6.45

8(15-16)

214.2

696.9

910.5

Water solubility determination at both flow rates yielded values between the limit of quantification (LOQ) for the EO derivatives and 8.93 µg/L for peak 1. In fraction 8 at a flow rate of 3.25 mL/h the detected values were higher. It is concluded, that due to the physical properties of the test item, some undissolved micro particles were breaking through the column, causing these inconsistent values.

According to the guideline, a concentration plateau is reached, if at least 5 consecutive fractions do not differ by more than 30%. This is achieved for all evaluations, except peak 1. The values for the water solubility of the test item for the different evaluations are summarized in the table:

Flow rate [mL/h]

Water solubility [µg/L]

Peak 1

Peak 2

Peak 3

6.25

4.84-8.93*

< 2.15-11.66

< 6.45-13.01

3.25

2.46-214.2

< 2.15-696.9

< 6.45-910.5

* no concentration plateau achieved

The different behaviour of C16-FA at two flow rates compared to the other components appears peculiar. For this reason the experiment was repeated several times to exclude the possibility of an error. The different behaviour was confirmed, no concentration plateau was achieved. No explanation can be given for this behaviour.

The water solubility of the test item is given as the range of concentrations determined by the different evaluation of the column elution experiment (from < 2.15 µg/L to 910.5 µg/L].

Conclusions:
The water solubility was measured in the range of < 2.15 - 910.5 µg/L (OECD 105).

Description of key information

 The water solubility was measured in the range of < 2.15 - 910.5 µg/L at 20 °C (OECD 105).

Key value for chemical safety assessment

Additional information

For one of the constituents no concentration plateau was achieved. This does not influence the general conclusion that the water solubility of the substance is very low (< 1 mg/L).