4,8-Cyclododecadien-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:

06-02-2014 to 11-02-2014

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: November 2013

Type of method:

flask method

Water solubility:

276 mg/L

Conc. based on:

test mat.

Incubation duration:

> 24 - < 72 h

Temp.:

20 °C

pH:

4.7

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 approx. 1 g/L were mixed overnight and the aqueous phase was analysed. The determined solubility was in the range of 268 mg/L resulting in an application dose of 1 .34 g/L as a fivefold of the expected solubility.

 

Definitive test:

The solubility of the test item in double distilled water was determined employing the flask method at 20 ± 0.5 °C with preincubation at 30 ± 0.5 °C. The water solubility was respectively at pH 4.7:

Table 1. Water solubility

Sample	Replicate Number	Concentration (1) / mg/L	Mean
24 h	1	286	265
	2	243
48 h	1	264
	2	260	262
72 h	1	308
	2	292	300
Mean (24 – 72 h)			276
Deviation (%)			14.5

(1) Mean value of triplicate samples double injections, dilution factor of 2 taken into account

 

Temperatures were kept constant within ± 0.5 °C. The determined solubilities of the last two longest incubation time test vessels did not differ by more than 15 %. The analytical method (HPLC 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 (migrated information): moderately soluble (100-1000 mg/L)
The test item water solubility was determined to be 276 mg/L at pH 4.7 and 20.0 °C.

Executive summary:

The water solubility of the substance was determined according to OECD Method 105 and EU Method A.6 in accordance with GLP. Determinations with preincubation at 30 ± 0.5 °C and stirring rate of 100 rpm for 24, 48 and 72 hours respectively. After preincubation the temperature was deuced to the test temperature of 20 ± 0.5 °C for 24 h with stirring at approx. 100 rpm. The analytical method (HPLC 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 concentration measured in at least the last two longest incubation times (48 and 72 h) differed by no more than 15% and the temperature was kept constant to within ± 0.5 °C. Under the conditions of this study, the mean water solubility of the substance was determined to be 276 mg/L at 20 ± 0.5 °C and pH 4.7.

Description of key information

Water Solubility: 276 mg/L at pH 4.7 and 20 °C, flask method - OECD TG 105, 2014

Key value for chemical safety assessment

Water solubility:

276 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of the substance was determined according to OECD Method 105 and EU Method A.6 in accordance with GLP. Determinations with preincubation at 30 ± 0.5 °C and stirring rate of 100 rpm for 24, 48 and 72 hours respectively. After preincubation the temperature was deuced to the test temperature of 20 ± 0.5 °C for 24 h with stirring at approx. 100 rpm. The analytical method (HPLC 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 concentration measured in at least the last two longest incubation times (48 and 72 h) differed by no more than 15% and the temperature was kept constant to within ± 0.5 °C. Under the conditions of this study, the mean water solubility of the substance was determined to be 276 mg/L at 20 ± 0.5 °C and pH 4.7.