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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:
30 November 2016 to 17 May 2016
Reliability:
1 (reliable without restriction)
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Water solubility:
297.4 mg/L
Temp.:
20 °C
pH:
10.81
Remarks on result:
other: Main Test: Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide: Sampling Time 24 h/ Flask 1
Water solubility:
261 mg/L
Temp.:
20 °C
pH:
10.81
Remarks on result:
other: Main Test: Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide: Sampling Time 24 h / Flask 2
Water solubility:
224.6 mg/L
Temp.:
20 °C
pH:
10.81
Remarks on result:
other: Main Test: Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide: Sampling Time 48 h / Flask 1
Water solubility:
224.6 mg/L
Temp.:
20 °C
pH:
10.81
Remarks on result:
other: Main Test: Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide: Sampling Time 48 h / Flask 2
Water solubility:
211.3 mg/L
Temp.:
20 °C
pH:
10.73
Remarks on result:
other: Main Test: Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide; Sampling Time 75 h / Flask 1
Water solubility:
197.5 mg/L
Temp.:
20 °C
pH:
10.73
Remarks on result:
other: Main Test: Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide; Sampling Time 75 h / Flask 2
Water solubility:
332 mg/L
Temp.:
20 °C
pH:
10.65
Remarks on result:
other: Main Test: Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide; Sampling Time 173 h / Flask 1
Water solubility:
298 mg/L
Temp.:
20 °C
pH:
10.65
Remarks on result:
other: Main Test: Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide; Sampling Time 173 h / Flask 2
Key result
Water solubility:
255.8 mg/L
Temp.:
20 °C
pH:
10.75
Remarks on result:
other: Result: Overall Mean; water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide
Details on results:
Calculated Concentration:
Overall Mean 255.8
Standard Deviation:14.9
RSD* [%]:5.8
*RSD – relative standard deviation


pH-value:
Overall Mean: 10.75
Standard Deviation:0.08
RSD* [%]:0.71
*RSD – relative standard deviation

  Preliminary Test:

The results are presented in Table 2 and Table 3.

Table 2:   Preliminary test results in ultra-pure water (1000 g/L to 1 g/L)

Test Item

[mg]

total volume of water
[mL]

time of shaking
[min]

remarks

Approx. solubility

[g/L]

100.4

0.10

10

not dissolved completely

< 1000

0.50

10

not dissolved completely

< 200

1.0

10

not dissolved completely

< 100

2.0

10

not dissolved completely

< 50

10

10

not dissolved completely

< 10

100

36

not dissolved completely

< 1

105

10

not dissolved completely

< 1

105

1440

not dissolved completely

< 1

 

Table 3:   Preliminary test results in ultra-pure water (11.1 g/L to 0.111 g/L)

Test Item

[mg]

total volume of water
[mL]

time of shaking
[min]

remarks

Approx. solubility

[g/L]

11.1

1.0

10

not dissolved completely

< 11.1

2.0

10

not dissolved completely

< 5.55

10

10

not dissolved completely

< 1.11

100

10

dissolved

0.111 - 1.11

 

Therefore, the approximate solubility of the test item was estimated to be 0.111 -1.11 g/L at 20 °C.

Main Test:

The results of the two independent flasks are summarized in Table 4.

 

Table 4:   Results of the water solubility of AD 1 in ultra-pure water being in equilibrium with atmospheric carbon dioxide

Sampling

Calculated

Calculated

pH

value

Time

Concentration
Flask 1

Concentration
Flask 2

[h]

[mg/L]

[mg/L]

24

297.4

261.0

10.81

48

224.6

224.6

10.81

75

211.3

197.5

10.73

173

332.0

298.0

10.65

Mean:

266.3

245.3

10.75

 

Overall Mean

255.8

10.75

Standard Deviation:

14.9

0.08

RSD* [%]:

5.8

0.71

*RSD – relative standard deviation

 

The two independent flasks do not differ by more than 15 % from each other.

Conclusions:
Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The solubility of AD 1 in water was determined in ultra-pure water being in equilibrium with atmospheric carbon dioxide at a temperature of 20 °C. The water was prepared by stirring ultra-pure water at room temperature under atmospheric pressure. The results are presented in the table below:
Solubility of AD 1 in ultra-pure water
pH 10.75
Temperature [°C] 19.8 - 20.1
Solubility [mg/L] 255.8
Executive summary:

Report: Nitzsche, I. (2016): AD1 Water Solubility of AD1

Source: Eurofins Agroscience Services EcoChem GmbH / Eurofins Agroscience Services Ecotox GmbH,Eutinger Straße 24,
D – 75223 Niefern-Öschelbronn, Germany; unpublished Report:S15-05583

Guidelines: EC A. 6 and OECD 105

Deviations: no

GLP: yes (incl. certificate)

Materials and Methods: Flask method

Date of work: 30 November 2016 to 17 May 2016

Results: The solubility of AD 1 in water was determined in ultra-pure water being in equilibrium with atmospheric carbon dioxide at a temperature of 20 °C. The water was prepared by stirring ultra-pure water at room temperature under atmospheric pressure. The results are presented in the table below:

Solubility of AD 1 in ultra-pure water

pH

10.75

Temperature [°C]

19.8 - 20.1

Solubility [mg/L]

255.8

Description of key information

Key value for chemical safety assessment

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

Additional information