5-methylheptan-3-one oxime

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

01 April 2014 to 31 May 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: PE00083052
Purity: 96.3%

Water solubility:

1.06 g/L

Temp.:

20 °C

pH:

>= 6.48 - <= 6.61

Results

Preliminary test

The preliminary estimate of water solubility was 1.00 x 10³ g/L at 20 °C.

Definitive test

The mean peak areas relating to the standard and sample solutions are shown in the following table:

Solution	Mean Peak Area
Standard at 100.2 mg/L	5.8056 x 10^6
Standard at 100.3 mg/L	5.7444 x 10^6
Matrix blank	None detected
Sample 1A	6.0606 x 10^6
Sample 1B	6.2353 x 10^6
Sample 2A	6.0035 x 10^6
Sample 2B	6.2060 x 10^6
Sample 3A	6.0827 x 10^6
Sample 3B	6.2165 x 10^6

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Sample Number	Time Shaken at ~ 30 ºC (hours)	Time Equilibrated at 20 ºC (hours)	Concentration (mg/L)	Mean Concentration (mg/L)	Solution pH
Sample 1A	24	24	1.05 x 10^3	1.07 x 10^3	6.50
Sample 1B	24	24	1.08 x 10^3
Sample 2A	48	24	1.04 x 10^3	1.06 x 10^3	6.48
Sample 2B	48	24	1.08 x 10^3
Sample 3A	72	24	1.06 x 10^3	1.07 x 10^3	6.61
Sample 3B	72	24	1.08 x 10^3

Mean concentration:  1.06 x 10³ mg/L at 20.0 ± 0.5 ºC
Range:                        1.04 x 10³ to 1.08 x10³ mg/L
Standard Deviation:   16.870

 

Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 50.15 to 150.5 mg/L. This was satisfactory with a correlation coefficient of 0.995 being obtained.

 

Discussion

On completion of the equilibration period, the samples were clear and colourless with excess test item present at the bottom of the test vessels. The solutions were decanted before filtration and dilution. 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^-2g/L, the flask shaking test was performed.

The correlation coefficient r²of the calibration curve was 0.995 (optimum 1.0000). This reflects the linearity of the GC-system within the calibration range of 50.15 mg/L to 150.5 mg/L of the test item.

All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guideline.

 

Conclusion

The water solubility of the test item has been determined to be 1.06 x10³ mg/L of solution at 20.0 ± 0.5 °C.

Conclusions:

The water solubility of the test item has been determined to be 1.06 x10^3 mg/L of solution at 20.0 ± 0.5 °C.

Executive summary:

Water Solubility.  1.06 g/L of solution at 20.0 ± 0.5 °C, 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.

Description of key information

1.06 g/L of solution at 20.0 ± 0.5 °C

Key value for chemical safety assessment

Water solubility:

1.06 g/L

at the temperature of:

20 °C

Additional information

Water Solubility.  1.06 g/L of solution at 20.0 ± 0.5 °C, 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.