3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2,2-dimethylpropanenitrile

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 08 March 2016 and 29 April 2016.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

The study is considered to be a reliability 1 as it has been conducted according to OECD Test Guideline 105 using the flask method and in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27 July 1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

Identification: ES421 Pinyl Nitrile

SOURCE OF TEST MATERIAL
- Appearance/physical state: white solid
- Source and lot/batch No.of test material: SM15077102
- Expiration date of the lot/batch: 22 July 2016
- Purity: 98.08%

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: approximately 4 °C, in the dark

Key result

Water solubility:

8.38 mg/L

Temp.:

20 °C

pH:

6.2

Details on results:

Preliminary test
The preliminary estimate of water solubility was 2.4 x 10-3 g/L at 20.0 °C.

Definitive test
The mean peak areas relating to the standard and sample solutions are shown under 'Any other information on results incl. tables'.
The concentration (g/L) of test item in the sample solutions are shown under 'Any other information on results incl. tables'.

Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 5 to 100 mg/L. This was satisfactory with a first order correlation coefficient of >0.9999 being obtained. Recovery of analysis of the sample procedure was assessed and proved adequate for the test. At a nominal concentration of 2.5 mg/L, a mean percentage recovery of 96.5% was obtained (n = 5, range 95.8 to 98.4%). Concentrations have not been corrected for recovery of analysis.

Definitive test

The mean peak areas relating to the standard and sample solutions:

Solution	Mean Peak Area
Standard solution, 25.2 mg/L	3.7189 x 10^6
Standard solution, 25.2 mg/L	3.7572 x 10^6
Standard solution matrix blank	none detected
Sample solution matrix blank	none detected
Sample solution 1, analysis replicate A	1.2615 x 10^7
Sample solution 1, analysis replicate B	1.2643 x 10^7
Sample solution 2, analysis replicate A	1.2409 x 10^7
Sample solution 2, analysis replicate B	1.2349 x 10^7
Sample solution 3, analysis replicate A	1.2280 x 10^7
Sample solution 3, analysis replicate B	1.2421 x 10^7

The concentration (g/L) of test item in the sample solutions

Sample Number	Time shaken at 30 °C (hours)	Time equilibrated at 20 °C (hours)	Concentration (g/L)	Solution pH
1	24	24	8.50 x 10-3	6.2
2	48	24	8.33 x 10-3	6.2
3	72	24	8.31 x 10-3	6.2

Mean concentration: 8.38 x 10-3 g/L at 20.0 ± 0.5 ºC

Range: 8.31 x 10-3 to 8.50 x 10-3 g/L

Standard Deviation: 1.03 x 10-4

Conclusions:

The water solubility of the test item, ES421 Pinyl Nitrile, has been determined to be 8.38 x 10-3 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

The water solubility of the test substance, ES421 Pinyl Nitrile, was 8.38 x 10-3g/L of solution at 20.0 ± 0.5 °C, using a flask method designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Description of key information

The water solubility ofthe test substance, ES421 Pinyl Nitrile, was8.38 x 10-3g/L of solution at 20.0 ± 0.5 °C, using a flask method designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing ofChemicals, 27 July 1995.

Key value for chemical safety assessment

Water solubility:

8.38 mg/L

at the temperature of:

20 °C