Iodonium, bis[4-(1,1-dimethylethyl)phenyl]-, hexafluorophosphate(1-) (1:1)

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 Nov 2011 – 13 Jan 2012

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP study according to EU and OECD methods

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2012

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

adopted in 1995

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

adopted in 2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Department of Health, UK GLP Monitoring Authority (2011)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

bis(4-tert-butylphenyl)iodanium; hexafluoro-λ⁵-phosphanuide

EC Number:

620-341-4

Cas Number:

61358-25-6

Molecular formula:

C20H26F6IP

IUPAC Name:

bis(4-tert-butylphenyl)iodanium; hexafluoro-λ⁵-phosphanuide

Details on test material:

- Name of test material (as cited in study report): PF-6
- Physical state: white powder
- Analytical purity: 99.2 %
- Batch No.: 20101020
- Expiration date of the batch: 12 April 2012
- Storage condition of test material: In the dark, at room temperature

Results and discussion

Water solubility

Water solubility:

0.275 g/L

Temp.:

20 °C

pH:

6.7 - 7.1

Remarks on result:

other: mean value of 24, 48 and 72 hour determinations; pH is slowly decreasing with time

Details on results:

The preliminary estimate of water solubility was 0.326 g/L.

Any other information on results incl. tables

No test substance related peak was detected in the matrix blank.

 

Definitive test

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

Sample Number	Time Shaken at 30 °C (hours)	Time Equilibrated at 20 °C (hours)	Concentration (g/L)	Solution pH
1	24	24	0.278	7.1
2	48	24	0.273	6.9
3	72 ¼	24	0.275	6.7

 

Mean concentration: 0.275 g/L at 20.0 ± 0.5 °C

 

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 50 to 200 mg/L. This was satisfactory with a linear relationship being obtained.

 

The hexafluorophosphate counter ion was not individually monitored for. It was considered that being an ion it would be highly water soluble.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
Using the flask method, the water solubility of PF-6 was determined to be 0.275 g/L at 20.0 ± 0.5 °C. The pH of the test solutions was between 7.1 and 6.7.