1,2,3,4,4a,7,8,8a-octahydro-2,4a,5,8a-tetramethyl-1-naphthyl formate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

The study was conducted between 20 March 2014 and 27 June 2014.

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

Specific details on test material used for the study:

Batch: SC00010054
Purity: 96.5%

Water solubility:

0.002 g/L

Temp.:

20 °C

pH:

>= 5.94 - <= 6.48

Details on results:

Preliminary test
The preliminary estimate of water solubility was 5.52E-04 g/L at 20 °C.

Definitive test
Mean concentration: 2.20E-03 g/L* at 20.0 ± 0.5 ºC
Range: 2.11E-03 to 2.30E-03 g/L* S
tandard Deviation: 0.0728

∗∗ Data not used in mean as no peak detected.
* Mean water solubility calculated and range results from results at 72, 96 and 120 hours

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 7.5 to 75 mg/L. This was satisfactory with a correlation coefficient of 0.999 being obtained.

Recovery of analysis of the sample procedure was assessed and proved adequate for the test.

Recoveries when fortified at 10 mg/L produced a range of recoveries from 100.0 to 108.4% with an average recovery of 104.2%. Concentrations have not been corrected for recovery of analysis.

On completion of the equilibration period, the samples were clear and colorless with excess test item present at the bottom of the test vessels. The solutions were decanted, avoiding excess test item prior to centrifugation. After centrifugation, the supernatant was taken for analysis. The supernatant was visually observed to be clear/colorless and free from un-dissolved test item.

As the water solubility was determined during the preliminary test to be above 10-2 g/L, the flask shaking test was performed. The test item is a liquid and is therefore not appropriate for the column elution testing method.

The correlation coefficient r2 of the calibration curve was 0.999 (optimum 1.0000). This reflects the linearity of the GC-system within the calibration range of 7.88 to 78.8 mg/L of the test item.

The water solubility samples showed a trend within the concentrations with time for samples at 24, 48 and 72 hours, therefore samples were additionally run at 96 and 120 hours to ensure that an equilibrium had been achieved. The results obtained show equilibrium is achieved before the 72 hour sample, therefore all average values are obtained from the 72, 96 and 120 hour samples. All individual water solubility results, once the equilibrium had been achieved, (72, 96 and 120 hours) results were within ± 15% of the mean, thus satisfying the criteria specified in the guideline.

As potential hydrolysis peaks were observed in the chromatography additional samples were tested with stirring for 1, 2, 4 and 24 hours at 30 °C, and equilibration at 20 °C for 24 hours. The results obtained show results consistent with those obtained for the longer stirring periods and therefore confirm that no significant hydrolysis was evident throughout the course of the test.

Conclusions:

The water solubility of the test item has been determined to be 2.20E-03 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

The determination was carried out using the flask method, designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The water solubility of the test item has been determined to be 2.20E-03 g/L of solution at 20.0 ± 0.5 °C.

Description of key information

The determination was carried out using the flask method, designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The water solubility of the test item has been determined to be 2.20E-03 g/L of solution at 20.0 ± 0.5 °C.

Key value for chemical safety assessment

Water solubility:

0.002 g/L

at the temperature of:

20 °C

Additional information

The test substance was assessed for water solubility according to Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 using the flask method. As potential hydrolysis peaks were observed in the chromatography additional samples were tested with stirring for 1, 2, 4 and 24 hours at 30 °C, and equilibration at 20 °C for 24 hours. The results obtained show results consistent with those obtained for the longer stirring periods and therefore confirm that no significant hydrolysis was evident throughout the course of the test. The water solubility of the test item has been determined to be 2.20E-03 g/L of solution at 20.0 ± 0.5 °C.