1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 Feb 2017 - 04 May 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide

EC Number:

222-148-7

EC Name:

1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide

Cas Number:

3371-33-3

Molecular formula:

C17H19NO4.BrH

IUPAC Name:

1-(3,5-dihydroxyphenyl)-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethan-1-one hydrobromide

Test material form:

solid: particulate/powder

Results and discussion

Water solubility

Key result

Water solubility:

44.2 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

1.85

Any other information on results incl. tables

Table1:      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
99.0	1	14	not dissolved completely	100 - 200
	2	10	not dissolved completely	50 - 100
	10	23	dissolved completely	10 - 50

Table2:      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	43.3	45.6	1.86
47	43.4	45.8	1.85
71	42.5	44.6	1.84
Mean:	43.1	45.3	1.85
SD:	0.493	0.643	0.01
RSD [%]:	1.1	1.4	0.5
Overall mean:		44.2
AD:		2.2
RD [%]:		5.0

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

 

The results indicate the required reproducibility of relative standard deviation below 15 % of the last three sampling dates. Also the concentrations between the last two sampling dates for each vessel do not differ by more than 15%. There is no tendency to increasing values, when the shaking time was prolonged.

 

Applicant's summary and conclusion

Conclusions:

The solubility of the test item was determined in ultra-pure water in equilibrium with atmospheric carbon dioxide at a temperature of 20 ± 0.5 °C.
The results are presented in the following table:

Table 3: Solubility of the test item in ultra-pure water saturated with carbon dioxide at 20 ± 0.5 °C

Determined pH value 1.85
Mean solubility [g/L] 44.2