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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2016-12-06 to 2016-12-09
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
2014
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
2,2'-[[3-chloro-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethyl bis(hydrogen sulphate), potassium sodium salt
EC Number:
287-719-5
EC Name:
2,2'-[[3-chloro-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethyl bis(hydrogen sulphate), potassium sodium salt
Cas Number:
85567-07-3
Molecular formula:
C36H42Cl2KN6NaO28S8
IUPAC Name:
2,2'-[[3-chloro-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]phenyl]imino]bisethyl bis(hydrogen sulphate), potassium sodium salt
Test material form:
solid
Details on test material:
Batch: 1283067001

Results and discussion

Water solubility
Key result
Water solubility:
287.7 g/L
Conc. based on:
test mat.
Incubation duration:
120 h
Temp.:
20 °C
pH:
4.91
Details on results:
The results indicate the required reproducibility (relative standard deviation below 15 %) and no tendency to increasing values, when the shaking time was prolonged.

Any other information on results incl. tables

Results preliminary test:

test item (mg) volume of water (mL) time of shaking (min) remarks approximate solubility (g/L)
101.3 0.1 40 not dissolved completely < 1000
0.5 10 dissolved completely 200-1000
501.2 0.5 10 not dissolved completely < 1000
1 10 not dissolved completely 500-1000
1.5 10 not dissolved completely 333-500
2 10 dissolved completely 250-333

Results of the water solubility - main test:

time of shaking

Analyte concentration
Flask 1

Analyte concentration
Flask 2

mean concentration

pH value

[h]

[g/L]

[g/L]

[g/L]

 

24

277.4

274.4

275.9

4.93

96

290.8

293.5

292.2

4.89

120

290.3

300.1

295.2

4.90

 

 

Mean:

287.8

4.91

 

 

Standard deviation:

10.4

0.02

 

 

Relative standard deviation [%]:

3.6

0.4

Applicant's summary and conclusion

Conclusions:
The solubility of test item was determined to be 363.8 g/L in ultra-pure water in equilibrium with atmospheric carbon dioxide at a temperature of 20 ± 0.5 °C.
Executive summary:

In the current study the water solubility of the test item was determined according to OECD 105, using shake flask method.

The solubility of test item was determined to be 287.8 g/L in ultra-pure water in equilibrium with atmospheric carbon dioxide at a temperature of 20 ± 0.5 °C. The pH value was determined to be 4.91.