Reaction products of 3-aminomethyl-3,5,5-trimethylcyclohexylamine and m-phenylenebis(methylamine) with 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2009-04-06 to 2009-06-19

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study is regarded as reliable without restrictions because it was conducted in compliance with GLP regulation and guideline.

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

440/2008/EC; 31 May 2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

March 1998

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

72.8 mg/L

Temp.:

20 °C

pH:

10.2

Details on results:

The test item concentrations were calculated with the help of the calibration equations given in Table 2 (see Sect. "Remarks on results incl. tables and figures").
Measured concentrations of the test item are summarised in Table 4. The repeatability of the determination was <15 % and thus within the range required by the guidelines.
In conclusion. the water solubility of the test item was determined to be 72.8 ± 11.2 mg/L (95% confidence interval) at 20 °C ± 1 °C using the shake-flask method for the performance of the main test.

Preliminary Test

The water solubility of the test item was estimated to be 30 mg/L in a preliminary test and therefore the shake-flask method was used in the main test.

Calibration

The calibration solutions were prepared on each analytical occasion. The calibration samples were analysed by HPLC with three parallel injections from each. Means of the peak areas of the test item are presented in Table 1.

The calibration curves were constructed applying weighted linear regression by Statistica for Windows software, using 1/concentration as weighting factor.

The concentrations were calculated with the help of the calibration equation given in Table 2.

Table 1. Data of the calibrations
Concentration of the Test Item µg/mL	Calibration_24h		Calibration_48h		Calibration_72h
	Mean of the Areas Test Item (n=3)
1.04	12053		11058		13844
2.08	28391		32810		-
5.20	98206		98801		98930
10.4	201443		202457		202099
20.8	404865		392639		410755
52.0	1025285		987267		982594
Table 2. Regression data
Analytical occasion		Constant		X Coefficient		R. Squared
22 April 2009 Calibration_24h		-9525		19967		1.000
23 April 2009 Calibration_48h		-7372		19332		0.999
24 April 2009 Calibration_72h		-4897		19373		0.999

The test item concentrations were calculated with the help of the calibration equations given in Table 2. Measured concentrations of the test item are summarised in Table 4. The repeatability of the determination was < 15 % and thus within the range required by the guideline.

 

Table 4. Results of the determination of water solubility of the test item

Measured concentration after 24 hours (mg/L)	pH	Measured concentration after 48 hours (mg/L)	pH	Measured concentration after 72 hours (mg/L)	pH	Solubility of the test item (mg/L)
69.6	10.17	73.1	10.06	77.4	10.02	72.8 ± 11.2
70.9	10.19	74.9	10.09	80.3	10.10
70.2	10.15	62.7	10.05	76.4	10.11
Mean: 70.2 ± 1.6	10.2	Mean: 70.3 ± 16.3	10.1	Mean: 78.0 ± 5.0	10.1	RSD% = 6

Conclusions:

In conclusion, the water solubility of the test item and MXDA was determined to be 72.8 ± 11.2 mg/L (95 % confidence interval) at 20 °C ± 1 °C using the shake-flask method for the performance of the main test.

Executive summary:

The water solubility of the test item was determined according to OECD 105 and EU Method A.6, resulting in 72.8 ± 11.2 mg/L (95 % confidence interval) at 20 °C ± 1 °C using the shake-flask method for the performance of the main test. Thus, the test item was considered slightly soluble in water.

Description of key information

The water solubility of the test item was determined according to EU Method A.6, resulting in 72.8 ± 11.2 mg/L at 20 °C (slightly soluble).

Key value for chemical safety assessment

Water solubility:

72.8 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the test item was determined according to OECD 105 and EU Method A.6, resulting in 72.8 ± 11.2 mg/L (95 % confidence interval) at 20 °C ± 1 °C using the shake-flask method for the performance of the main test. Thus, the test item was considered slightly soluble in water.