Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: OECD107

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report Date:
2010

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: liquid at 22°C

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.8
Temp.:
20 °C
pH:
6.6 - 7.1

Any other information on results incl. tables

RESULTS

First estimation: determination of n-octanol solubility.

Test Initial weight of test item Volume of n-octanol added Dilution factor Amount measured in GC Solubility in n-octanol Average
mg mL mg/L mg/L mg/L
1 86.3 25 105 0.0235825 2358.25 2336.09
2 85.0 25 105 0.0231393 2313.93

Finally, the preliminary estimation was calculated with the ratio of the individual solubility in n-octanol and in water (0.0307 mg/L according to report 00256.10-2), as following: log (2336.06/0.0307) = 4.88

Shake Flask Method

The total weights and analysed concentration of the respective phases are shown in the following table:

Sample number Ratio Organic phase Aqueous phase
Amount in noctanol phase measured in GC (cO) Volume of aqueous sample (V1) pH of aqueous sample Volume of HX sample after extraction and concentration (V2) Amount in HX measured in GC (c2) Solubility in Water (c1)*
mg/L mL mL mg/L mg/L
1 1:3 913.30 2 6.8 1.21 0.240 0.146
2 1:3 959.80 2 6.7 1.49 0.226 0.168
3 1:1 441.47 2 7.0 1.24 0.097 0.060
4 1:1 517.52 2 6.6 1.53 0.174 0.133
5 3:1 378.32 1 6.7 1.38 0.034 0.047
6 3:1 378.40 2 6.9 1.52 0.112 0.086

*c1 = c2 x (V2/V1)

pH of n-octanol saturated water: 6.5 pH of stock solution: 6.2 Temperature: 22 ± 0.5°C

The partition coefficient determined for each sample is shown below:

Sample number n-octanol/water volume ratio Partition coefficient (Pow=cO/c1) Log Pow
1 1:3   6255.5 3.8
2 5713.1 3.8
3 1:1   7357.8 3.9
4 3891.1 3.6
5 3:1   8049.4 3.9
6 4400.0 3.6
Average 12567.6 3.8

According to the OECD guideline 107, the six log Powvalues should fall within a range of ±0.3 units, which is actually the case.

Applicant's summary and conclusion

Conclusions:
In conclusion of this report, according to the OECD guideline 107, the following data for the perfluorohexylethyliodide was found: Log Pow= 3.8± 0.3