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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:
04-11 May 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
The study was conducted according to an internationally recognised method, and under GLP. No deviation was reported. Test substance is adequately specified with purity. Therefore full validation applies.
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
other: Letinski et al., 2002. Slow-stir water solubility measurements of selected alcohols and diesters, Chemosphere 48: 257-265.
Qualifier:
according to
Guideline:
other: OECD-Guideline 123 for Testing of Chemicals, Partition Coefficient (1-Octanol/Water): Slow-Stirring Method (2006)
Principles of method if other than guideline:
Not applicable
GLP compliance:
yes (incl. certificate)
Remarks:
inspected on June 3 to 5, 2013 / signed on February 01, 2016
Type of method:
flask method
Specific details on test material used for the study:
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 20 ± 2 °C, protected from light, in the tightly closed original container
- Stability under test conditions: Stable

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: The test item was melted completely at 30 °C in a water bath and used after homogenization.
Key result
Water solubility:
2.91 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
0.86 g/L
Incubation duration:
96 h
Temp.:
20 °C
pH:
6
Remarks on result:
other: application dose: 0.1% v/v (corresponding to approx. 0.86 g active ingredient/L)
Details on results:
Tyndall effect: Negative in all three replicates of sampling of equilibrium.
After 43.2 h of incubation at 20 ± 0.5 °C, a regression graph of the concentration of substance in water against time yielded a slope not significantly different from zero and 5 consecutive samples had a variation of less than 15 %, showing that the equilibrium was reached.

Table 4.8/1: Water Solubility Results at 20 °C

 

Sampling of equilibrium

Incubation time1(h)

Calculated Concentration2 (mg/L)

Overall

Replicate 1

Replicate 2

Replicate 3

NA

1

43.20

2.78

2.83

2.70

2

48.20

2.89

2.97

2.85

3

66.53

2.95

3.20

2.76

4

71.53

3.02

3.14

3.05

5

90.63

2.92

2.90

2.81

6

95.66

2.81

2.80

3.01

Mean

2.89

2.98

2.87

2.91

Deviation (%)

8.83

143

133

3.94

 

1= Time after achieving the test temperature of 20 ± 0.5 °C

2= Dilution factor of 4000 and exact weight of the external standard taken into account

3= Calculation according to formula (1)

4= Calculation according to formula (2)

 

Regression analysis for both replicates demonstrated that the slope of the regression line of the water solubility of six successive samples was not significantly different from zero.

 

Validity Criteria

Repeatability

The slope of the concentration vs. time regression graph was statistically not significantly different from zero (minimum of five samples).

The concentration measured for each replicate sampling did not differ by more than 30 % (minimum of five samples).

The determined solubilities of the three test vessels did not differ by more than 15 %.

Temperatures

Temperatures were kept constant within ± 0.5 °C.

Executive summary:

The water solubility of test item was determined under GLP according OECD 105 guideline and EU A6 guideline, flask method, modified with slow stirring approach, as liquid with low solubility expected.

 

The study was conducted with double distilled water, in triplicate vessels, with pre-incubation at 30 ± 0.5 °C for 72 h and at least 24 h incubation after reduction to test temperature of 20 ± 0.5 °C before the first sampling. Further samplings were performed after time intervals of at least 5 hours.

The test substance was extracted with SPME, and analysed by validated GC-MS method.

After 43.2 h of incubation, five consecutive samples had a variation of less than 15 %, showing that the equilibrium was reached.

 

The water solubility of the test item was determined at 20 °C, pH 6 to be 2.91 mg/L.

Description of key information

Equilibrium reached after 72h incubation at 30°C + 43h equilibration at 20°C.

pH of saturated solution: 6.0.

Key value for chemical safety assessment

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

Additional information

A fully reliable experimental study, conducted according to OECD/EU method and under GLP, is available. It is considered as a key study. The result is retained as key data.