1-(5-ethyl-5-methylcyclohex-1-en-1-yl)pent-4-en-1-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2015

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)

Version / remarks:

Determination of the water solubility of the test item employing the flask method with slow stirring approach.The decision of the slow stirring method was made due to the test item properties. The test guideline was consistent with OECD Guideline 105 (water solubility) modified according to Letinski et. al. (2002) and OECD TG 123 (2006).

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

see above

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

inspected: June 2013; signature: November 2013

Type of method:

flask method

Water solubility:

13.3 mg/L

Temp.:

20 °C

pH:

7

Remarks on result:

other: mean (n =5) of 24.7 to 50.7 hours where equilibrium was reached

Preliminary test:

A non-GLP preliminary test was performed to determine the application dose to be used in the definitive study. For this purpose, 3 replicates of a water : test item mixture at an application dose of approximately 1 g/l were stirred overnight and the aqueous phase was analysed via UPLC-DAD. The determined solubility was 12.4 mg/L.

 

Definitive test:

The solubility of the test item in double distilled water was determined employing the slow stir adapted flask method at 20 ± 0.5 °C with preincubation at 30 ± 0.5 °C. The water solubility was respectively at pH 7.0. There was no evidence of undissolved test item in Tyndell-Effect testing.

Table 1. Water solubility

		Calculated concentration (mg/L) *
Sample	Incubation time (hours)	Replicate 1	Replicate 2	Overall
1	24.7	13.1	13.4
2	26.7	12.8	13.2
3	46.2	13.1	13.2
4	48.7	13.1	13.1
5	50.7	13.3	13.3
	mean	13.1	13.3	13.2
	Deviation (%)	3.3	2.1	1.4

Where:

* = Dilution factor taken into account

 

Temperatures were kept constant within ± 0.5 °C. The slope of the concentration vs. time regression graph was statistically not significantly different from zero (minimum of five samples). The determined solubilities of the replicate vessels did not differ by more than 15 %. The analytical method (UPLC DAD, 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 item water solubility was determined to be 13.2 mg/L at pH 7.0 and 20.0 ± 0.5 °C.

Executive summary:

The water solubility of the test item was determined according to the slow stirring adapted flask method of OECD Method 105 and EU Method A.6 in accordance with GLP. The solubility of the test item in double distilled water was determined employing the flask method with slow stirring approach at 20 ± 0.5 °C with incubation at test temperature that achieved equilibrium (actual: 50.7 hours) before the final sampling. The slope of the concentration vs. time regression graph was statistically not significantly different from zero (minimum of five samples). The determined solubilities of the replicate vessels did not differ by more than 15 %. The analytical method (UPLC DAD, 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 (in double distilled water) of the test item was determined to be 13.2 mg/L at pH 7.0 and 20 ± 0.5 °C.

Description of key information

Water Solubility: 13.2 mg/L at pH 7.0 and 20 °C, flask method - OECD TG 105, 2015

Key value for chemical safety assessment

Water solubility:

339 mg/L

at the temperature of:

20 °C

Additional information

Key Study: OECD TG 105, 2015 : The water solubility of the test item was determined according to the slow stirring adapted flask method of OECD Method 105 and EU Method A.6 in accordance with GLP. The solubility of the test item in double distilled water was determined employing the flask method with slow stirring approach at 20 ± 0.5 °C with incubation at test temperature that achieved equilibrium (actual: 50.7 hours) before the final sampling. The slope of the concentration vs. time regression graph was statistically not significantly different from zero (minimum of five samples). The determined solubilities of the replicate vessels did not differ by more than 15 %. The analytical method (UPLC DAD, 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 (in double distilled water) of the test item was determined to be 13.2 mg/L at pH 7.0 and 20 ± 0.5 °C.