Potassium 2-(3-trifluoromethoxy-1,1,2,2,3,3-hexafluoropropoxy)-2,3,3,3-tetrafluoropropionate

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

January 19, 2001 - May 31, 2001

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Guideline study under GLP with acceptable restriction.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2001

Report date:

2001

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: 92/69/EEC, appendix A.8

Principles of method if other than guideline:

The partition coefficient n-octanol/water of the test substance has been determined according with the guideline 92/69/EEC, appendix A.8 from its solubility in water and in n-octanol, respectively.

GLP compliance:

yes (incl. QA statement)

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

MV31 Kaliumsalz

IUPAC Name:

MV31 Kaliumsalz

Details on test material:

- Name of test material (as cited in study report): MV31 Kaliumsalz
- Substance type: Single component
- Physical state: grey globular substance
- Storage condition of test material: dry and room temperature

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

Pow

Partition coefficient:

0.167

Temp.:

20 °C

Remarks on result:

other: pH not measured

Details on results:

The saturation concentration of MV31 K salt in n-octanol was determined to be 57.51 g/L (corrected with the purity of the test substance of 88%). The saturation concentration of MV31 K salt in water was previously determined to be 344.71 g/L (corrected with the purity of the test substance of 88%) for a stirring temperature of 30°C and equilibration temperature of 20°C. Based on the equation of Pow = C (octanol)/C (water), the Pow is calculated to be 0.167. The log Pow is -0.78.

Any other information on results incl. tables

Table 1: n-Octanol solubility of MV31 K salt

 

Experiment	Amount of test substance (g)	n-octanol solubility (g/l)
E	5.09	52.30
F	4.80	74.41
G	5.87	57.24
I	5.02	73.73
J	5.00	72.57
K	5.02	61.84
H (black)	-	< 5
Averagen-octanol solubility (g/l)		65.35
Standard deviation		9.52
RSD%		15%
n-octanol solubility (corrected for purity) (g/L)		57.51

 

Applicant's summary and conclusion

Conclusions:

The partition coefficient n-octanol/water (Pow) of the test substance was determined to be 0.167.

Executive summary:

The n-octanol/water partition coefficient (Pow) of MV31 K salt was determined according to the guideline 92/69/EEC, appendix A.8 based on the ratio of measured solubility in water and in n-octanol, respectively.

The saturation concentration of MV31 K salt in n-octanol was determined in this study. Six weighed amounts of the test substance were added in portions to 10 ml n-octanol and stirred at 20°C for 4 hours. An aliquots of the saturated aqueous phase were taken and centrifugated at 10000 rpm and 20°C for 20 minutes. An aliquot of the centrifugate was then removed under reduced pressure using a rotary evaporator to evaporate the n-octanol. The dry residues were added 3 ml distilled water and 1 ml acetonitrile. An aliquot was diluted with acetonitrile / water 40:60 (v/v). The concentration of the test substance was determined by HPLC. The saturation concentration of MV31 K salt in n-octanol was determined to be 57.51 g/L (corrected with the purity of the test substance of 88%).

The saturation concentration of MV31 K salt in water was previously determined to be 344.71 g/L (corrected with the purity of the test substance of 88%) for a stirring temperature of 30°C and equilibration temperature of 20°C. Based on the equation of Pow = C (octanol)/C (water), the Pow is calculated to be 0.167. The log Pow is -0.78.

This is a guideline study under GLP. The calculation method meets general accepted scientific principles.Therefore, it is considered to be reliable with acceptable restriction.