1,1'-(methylenedi-4,1-phenylene)bis(3-butylurea)

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2005-11-14 to 2005-12-06

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

31 July 1992

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27 July 1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Key result

Water solubility:

0.05 mg/L

Temp.:

20 °C

pH:

6

Details on results:

At the plateau, the concentration of [14C] HAT-Paste in water had reached:

0.0497 ± 0.0022 mg/L at 20 ± 0.5 °C
= 0.0497 * 10-6 kg/L (SI units)
(mean value of all ten fractions ± standard deviation)

Quartz sand was filled into a glass column and coated with test item.

A flow rate of 24.76 mL/h was set. After discarding the first five column volumes, fractions were collected and measured.

On the first day, no plateau was reached (downward tendency). After five consecutive fractions on the second day, the plateau was considered as reached, because variation was less than 30% and no tendency was observed.
A second experiment with a flow rate of 12.4 mL/h was performed likewise. In this experiment, the first five fractions showed no variations greater than 30 % and no tendency.

No differences greater than 30 % in the concentrations of the solutions could be determined between the sample dates of the different flow rates, supporting the independency of solubility and flow rate.

                                       

At the plateau, the concentration of [¹⁴C] HAT-Paste in water had reached:

0.0497 ± 0.0022 mg/L at 20 ± 0.5 °C
= 0.0497 * 10^-6 kg/L (SI units)

(mean value of all ten fractions ± standard deviation)

Values at Plateau

Flow rate [mL/h]	Sample No.	Concentration[µg/L]	Mean[µg/L]	Standard Deviation[µg/L]	Relative Standard Deviation[%]
24.76	6	51.1	49.0	2.3	4.7
	7	49.0
	8	51.0
	9	45.4
	10	48.8
12.4	1	45.3	49.0	2.3	4.7
	2	50.9
	3	48.8
	4	50.8
	5	48.9

 

Conclusions:

The water solubility of [14-C]HAT Paste was determined by measuring the plateau concentration of the test article.
At the plateau, the concentration of [14C] HAT-Paste in water had reached:
0.0497 ± 0.0022 mg/L at 20 ± 0.5 °C
= 0.0497 * 10-6 kg/L (SI units)
(mean value of all ten fractions ± standard deviation)

Executive summary:

Findings:                        

Quartz sand was filled into a glass column and coated with test item.

A flow rate of 24.76 mL/h was set. After discarding the first five column volumes, fractions were collected and measured.

On the first day, no plateau was reached (downward tendency). After five consecutive fractions on the second day, the plateau was considered as reached, because variation was less than 30 % and no tendency was observed.
A second experiment with a flow rate of 12.4 mL/h was performed likewise. In this experiment, the first five fractions showed no variations greater than 30 % and no tendency.

No differences greater than 30 % in the concentrations of the solutions could be determined between the sample dates of the different flow rates, supporting the independency of solubility and flow rate.

                                       

At the plateau, the concentration of [¹⁴C] HAT-Paste in water had reached:

0.0497 ± 0.0022 mg/L at 20 ± 0.5 °C
= 0.0497 * 10^-6 kg/L (SI units)

(mean value of all ten fractions ± standard deviation)

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

1993-07-09 to 1994-10-13

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

EEC 92/69

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1981

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Specific details on test material used for the study:

Analytical purity: >= 99.65 %
Lot/batch No.: 93.166

Key result

Water solubility:

< 0.24 mg/L

Temp.:

20 °C

pH:

6

Details on results:

The water solubility of the test article was determined to be less than the detection limit of the analytical method, i.e. < 0.24 mg/L.

No test article was detected in the eluted samples and therefore an estimate of the detection limit of the analytical method was made by comparing the analytical signal of the lowest calibration standard with the instrument noise.

The detection limit was set at twice the noise level and was determined to be less than 0.24 mg/L.

Conclusions:

The water solubility of the test article was determined to be less than the detection limit of the analytical method, i.e. 0.24 mg/L.

Executive summary:

The solubility in water of a substance is the saturation mass concentration of the test article in water at a given temperature.

Preliminary tests showed that the test article was insoluble in water. The water solubility could not be measured by the shake flask method, and for the column elution method, no volatile solvent was found for the test article. Therefore, this method was adapted and the test article eluted from a preparation using dimethyl formamide. The samples were analysed by HPLC. No test article was detected in the eluted samples and therefore an estimate of the detection limit of the analytical method was made by comparing the analytical signal of the lowest calibration standard with the instrument noise. The detection limit was set at twice the noise level and was determined to be less than 0.24 mg/L.

Description of key information

The water solubility of [14-C] HAT Paste was determined according to EU Method A 6, Water solubility, using the column elution method by measuring the plateau concentration of the test article. At the plateau, the concentration of [14C] HAT-Paste in water had reached:

0.0497 ± 0.0022 mg/L at 20 ± 0.5 °C = 0.0497 * 10E-06 kg/L (SI units) (mean value of all ten fractions ± standard deviation)

According to this result, HAT Paste can be regarded as insoluble in water (< 0.1 mg/L).

A supporting study evaluated the water solubility of HAT ISO by HPLC according to EU Guideline A.6, Water solubility and OECD guideline no. 105.  The water solubility of HAT ISO was determined to be below the analytical detection limit, i.e. < 0.24 mg/L.

Key value for chemical safety assessment

Water solubility:

0.05 mg/L

at the temperature of:

20 °C