A mixture of: 7,9,9-trimethyl-3,14-dioxa-4,13-dioxo-5,12-diazahexadecane-1,16-diylprop-2-enoate; 7,7,9-trimethyl-3,14-dioxa-4,13-dioxo-5,12-diazahexadecan-1,16-diylprop-2-enoate

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 March 15, 2004 to May 14, 2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

0.224 g/L

Temp.:

20 °C

pH:

ca. 7

Details on results:

Test substance was stirred with double distilled water (in triplicate) at a nominal concentration of approximately 1.1 g/l. Duplicate samples were taken from each water mixture after 24, 48 or 72 hours of stirring. Undissolved test substance was removed by two successive centrifugation steps (3500 g, 5 min., 20°C). The aqueous phases were analysed for the test substance. The temperature of the climate room was 20.0 ± 0.5°C during the performance of the test.

The results for the samples taken are summarised in Table 1. The calculations were performed using not-rounded concentrations. Therefore, some differences might be observed when re-calculating the mean values as mentioned in the table below. No test substance was measured in the pretreated samples from the blank water mixture.

Table 1    Results of the main study - water solubility of the test substance:

Stirring time [hours]	Concentrations analysed [mg/l] ^2	Mean concentration [mg/l]	pH ^1
24	229	226	6.8
	224		6.8
48	219	219	6.9
	219		7.0
72	227	227	7.0
	283^3		6.9
		Mean:     224

¹        Measured from the aqueous phase after two centrifugation steps.

²        Duplicate samples.

³        Outlier.

The 24-, 48- and 72- hour measurements are in agreement (i.e. maximum deviation 15%). Therefore, the water solubility of the test substance was calculated as the mean value of all measurements.

Conclusions:

Under the study conditions, the test substance is moderately soluble (100-1000 mg/L). The water solubility of the test substance at 20.0 ± 0.5°C was determined to be 0.224 g/l using the flask method.

Executive summary:

A study was conducted to determine water solubility of the test substance according to OECD Guideline 105 and EU Method A.6. Under the study conditions, the test substance is moderately soluble (100-1000 mg/L). The water solubility of the test substance at 20.0 ± 0.5°C was determined to be 0.224 g/l using the flask method (Baltussen, 2004).

Description of key information

The water solubility was determined according to OECD Guideline 105 and EU Method A.6 (Baltussen, 2004).

Key value for chemical safety assessment

Water solubility:

0.224 g/L

at the temperature of:

20 °C