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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
June 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(3,5-Dihydroxyphenyl)-1-oxo-2-(N-1-(4-methoxyphenyl)isopropylamino)ethane Hydrobromide
EC Number:
928-779-0
Molecular formula:
C18-H21-N-O4 x HBr
IUPAC Name:
1-(3,5-Dihydroxyphenyl)-1-oxo-2-(N-1-(4-methoxyphenyl)isopropylamino)ethane Hydrobromide
Test material form:
solid: particulate/powder

Results and discussion

Water solubility
Key result
Water solubility:
12.8 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
3.85

Any other information on results incl. tables

Preliminary Test Results

Test Item

[mg]

total volume of ultra-pure water
[mL]

time of shaking

[min]

remarks

Approximate solubility

[g/L]

 

0.5

26

not dissolved completely

200 - 1000

100.3

1

14

not dissolved completely

100 - 200

 

2

10

not dissolved completely

50 - 100

 

10

23

not dissolved completely

10 - 50

 

20

10

dissolved completely

5 - 10

Results of the water solubility of test item

time of shaking

Analyte concentration Flask 1

Analyte concentration Flask 2

pH value

[h]

[g/L]

[g/L]

 

23

12.4

12.5

4.09

47

13.3

12.2

3.82

71

13.0

13.0

3.63

Mean:

12.9

12.6

3.85

SD:

0.458

0.404

0.23

RSD [%]:

3.6

3.2

6.0

Overall mean:

 

12.8

 

AD:

 

0.3

 

 RD [%]:

 

2.3

 

SD: standard deviation; RSD: relative standard deviation; AD: absolute deviation; RD: relative deviation

Applicant's summary and conclusion

Conclusions:
The solubility of the test substance was determined in ultra-pure water in equilibrium with atmospheric carbon dioxide at a temperature of 20 ± 0.5 °C according to EC method A.6 (Regulation (EC) No 440/2008) and OECD guideline 105. The shake flask method was used, because the solubility determined in the preliminary test was above 0.01 g/L.
The results are presented in the following table:
Solubility oftest substance in ultra-pure water saturated with carbon dioxide at 20 ± 0.5 °C
Determined pH value 3.85
Mean solubility [g/L] 12.8