1-(3,5-Dihydroxyphenyl)-1-oxo-2-(N-1-(4-methoxyphenyl)isopropylamino)ethane Hydrobromide

Water solubility

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:

2018

Report date:

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-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethan-1-one hydrobromide

EC Number:

928-779-0

Cas Number:

1178555-23-1

Molecular formula:

C18-H21-N-O4 x HBr

IUPAC Name:

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

Details on results:

the results indicate the required reproducibility of the relative standard deviation below 15% of the last three sampling dates. Also the concentration between the last two sampling dates for each vessel do not differ by 15%. There is no tendency to increasing values values, when the shaking time was prolonged. pls refer to the information under "Any other information on results incl. tables"

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