5,9-dimethyldec-4-enal

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14-03-2016 to 19-03-2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: Guideline study performed under GLP. All relevant validity criteria were met.

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)

Remarks:

inspected June 2013; signature: February 2016

Type of method:

flask method

Water solubility:

14.8 mg/L

Temp.:

20 °C

pH:

5.6

Remarks on result:

other: Mean of 24, 48 and 72 h: deviation between replicates was: 10%

Preliminary test

The determined solubility in double distilled water was in the range of 11.4 – 24.1 mg/L. For the application dose for the definitive study, 0.1 % (v/v) was used to facilitate the application procedure.

 

Definitive test:

The solubility of the test item in double distilled water was determined employing the flask method slow stirring approach at 20 ± 0.5 °C with preincubation at 30 ± 0.5 °C. The water solubility was respectively at pH 5.6:

Table 1.0. Water Solubility Results

Preincubation time	Replicate No.	Test item Concentration 1) [mg/L]
			Mean
24 h	1	13.6	14.3
	2	14.9
48 h	1	13.8	15.8
	2	17.7
72 h	1	13.3	14.5
	2	15.7
Mean (24 - 72 h)			14.8
Deviation [%] (24 - 72 h) 2)			10

1) Mean value of double injections, dilution factor of 400 and exact weights taken into account

2) Calculated according to formula 1

 

Formula 1:

Deviation (%) = 100 x (maximum value - minimum value) / minimum value

 

Temperatures were kept constant within ± 0.5 °C. The determined solubilities for each preincubation time did not differ by more than 15 %. The analytical method (UPLC MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity.

Conclusions:

Interpretation of results: slightly soluble (0.1-100 mg/L)
The test substance water solubility was determined to be 14.8 mg/L of solution at pH 5.6 and 20.0 °C.

Executive summary:

The water solubility of the substance was determined according to the flask method: OECD Method 105 and EU Method A.6 in accordance with GLP. Determinations preincubation with stirring rate of 300 rpm at 30 ± 0.5 °C, then 24 hours equilibration with a stirring rate of 100 rpm for at 20 ± 0.5 °C prior to sampling. The analytical method (UPLC MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The mean water solubility of the substance was determined to be 14.8 mg/L of solution at pH 5.6 and 20.0 °C.

Description of key information

Water Solubility: 14.8 mg/L at pH 5.6 and 20 °C, OECD TG 105, 2016

Key value for chemical safety assessment

Water solubility:

14.8 mg/L

at the temperature of:

20 °C

Additional information

Key study : EU Method A.6, 2016 : The water solubility of the substance was determined according to the flask method: OECD Method 105 and EU Method A.6 in accordance with GLP. Determinations preincubation with stirring rate of 300 rpm at 30 ± 0.5 °C, then 24 hours equilibration with a stirring rate of 100 rpm for at 20 ± 0.5 °C prior to sampling. The analytical method (UPLC MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The mean water solubility of the substance was determined to be 14.8 mg/L of solution at pH 5.6 and 20.0 °C.