Reaction products of 2-ethyl-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate and N-methylaniline

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

20 February 2020 - 29 Jul 2020

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:

March 04, 2016

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

July 27, 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

Specific details on test material used for the study:

Physical Description: Light orange liquid
Purity/Composition: UVCB
Storage Conditions: At room temperature protected from light
Purity/Composition correction factor: No correction factor required
Test item handling: Use amber glassware or wrap container in aluminum foil
Chemical name: 2,2-bis[({3-[methyl(phenyl)amino]propanoyl}oxy)methyl]butyl 3-[methyl(phenyl)amino]propanoate

Water solubility:

0 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

10 mg/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

6.5

Water solubility:

0 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

100 mg/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

6.6

Details on results:

For the loading rates of 10 and 100 mg/L, the 24-hour measurement was significantly lower than the 48- and 72- hour measurements (maximum difference > 15%). Based on this, the water solubility of the test item was given as the mean value of the 48- and 72-hour measurements.

Small responses at the retention time of the test item were detected in the chromatograms of the pretreated sample from the blank water mixture. It was considered to derive from carry-over in the analytical system since similar responses were found in the analytical blanks. The maximum contribution to the samples was 0.15 %. It was considered that it has no significant effect on the results of the test samples.

Preliminary Test

The content of test item dissolved in the water sample was 0.000000918 g/L. The concentrations of test item found in the samples after 10-fold and 2-fold dilution were considered for not reliable results and therefore not reported in detail (results archived in the raw data).

Main Study

The results for the samples taken at 24, 48 and 72 hours at a loading rate of 10 mg/L and 100 mg/L are given in the tables below:

Main study - water solubility of the test item at a loading rate of 10 mg/L

Stirring time	Analyzed concentration	Mean	Maximum difference	pH
[hours]	[g/L]	[mg/L]	[%]
24	0.00000000076^1	0.00000176	10	6.5
48	0.00000167^2			6.5
72	0.00000185^2			6.5

¹       Estimated value, calculated using mean response factor of the lowest calibration solution.

²       The sample was re-diluted and re-analysed since the response of initial analysis was outside the calibrated range.

Main study - water solubility of the test item at a loading rate of 100 mg/L

Stirring time	Analyzed concentration	Mean	Maximum difference	pH
[hours]	[g/L]	[g/L]	[%]
24	0.00000000052^1	0.00000248	14	6.6
48	0.00000231^2			6.6
72	0.00000265^2			6.6

¹       Estimated value, calculated using mean response factor of the lowest calibration solution.

²       The sample was re-diluted and re-analysed since the response of initial analysis was outside the calibrated range.

Conclusions:

The slow-stirring flask method was applied for the determination of the water solubility of the test item.
The water solubility of the test item at 20°C was 0.00000176 g/L at a loading rate of 10 mg/L. The pH of the aqueous samples was 6.5.
The water solubility of the test item at 20°C was 0.00000248 g/L at a loading rate of 100 mg/L. The pH of the aqueous samples was 6.6.

Executive summary:

Information	Guideline(s)	Result	Comment
Water solubility	EC A.6	0.00000176 g/L at a loading rate of 10 mg/L	at 20°C by the slow-stirring flask method
	OECD 105	0.00000248 g/L at a loading rate of 100 mg/L
	OPPTS 830.7840

Description of key information

Study conducted to recognised testing guidelines with GLP certification.

Key value for chemical safety assessment

Water solubility:

0 g/L

at the temperature of:

20 °C

Additional information

1.76 µg/L at 20 °C