Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
From 24 May 2016 to 22 March 2017
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
significant methodological deficiencies
Remarks:
No deviation from the guidelines was observed during the study. But due to the test item properties it was not possible to validated an analytical method for which accuracy can be demonstrated. Therefore, the analysed test item concentrations are affected by an unknown uncertainty. The test item concentration and the partition coefficient resulting can only be considered as estimated value.
Reason / purpose:
reference to same study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
slow-stirring method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Batch No.of test material: 15072477V3
- Expiration date of the lot/batch: October 2021
- Purity: > 99.5%

Analysis executed on 2016-10-03:
Purity: 99.67% w/w
Organic Impurities: 0.33% w/w

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: In refrigerator (2-8°C)
Analytical method:
gas chromatography
Type:
log Pow
Partition coefficient:
3.2
Temp.:
20 °C
pH:
5.8
Remarks on result:
other: n-octanol / water volume ratio :1:1
Type:
log Pow
Partition coefficient:
3.1
Temp.:
20 °C
pH:
5.8
Remarks on result:
other: n-octanol / water volume ratio :1:1
Type:
log Pow
Partition coefficient:
3.3
Temp.:
20 °C
pH:
5.8
Remarks on result:
other: n-octanol / water volume ratio :1:2
Type:
log Pow
Partition coefficient:
3.2
Temp.:
20 °C
pH:
5.8
Remarks on result:
other: n-octanol / water volume ratio :1:2
Type:
log Pow
Partition coefficient:
3.4
Temp.:
20 °C
pH:
5.6
Remarks on result:
other: n-octanol / water volume ratio :2:1
Type:
log Pow
Partition coefficient:
3.7
Temp.:
20 °C
pH:
5.6
Remarks on result:
other: n-octanol / water volume ratio :2:1
Details on results:
In the chromatograms of the diluted n-octanol stocks solutions, no response was observed at the retention time of the test item. Therefore, recovery was calculated using the nominal concentration of the stock solution. Indeed, when the analysed concentrations were used to determine the recovery of the test samples, very high value have been obtained (more than 230%). This indicate that the concentration found by analysis in the stock solution was underestimated. No explanation for this phenomenon have been found.

The recovery obtained for n-octanol and aqueous samples were very low. As the analytical method wasn't been validated in n-octanol, analysis have been performed to check the influence of n-octanol on the analytical results. Based on the results obtained, it was concluded that the presence of n-octanol didn't cause the low recoveries found.
The low recoveries found are considered to be due to the evaporation of the test item during the study.

The samples were analysed using an analytical method for which accuracy could not be demonstrated due to volatility of the test item. Analysed concentrations on n-octanol and aqueous samples as well as recoveries, partition coefficient have to be considered as estimated values.

Conclusions:
Due to the issues observed with the analytical method used to quantify the test item in the samples, the partition coefficient can only be estimated.
The Log Kow is estimated to be 3.4 at 20°C
Executive summary:

The partition coefficient of the test item was determined with the shake flask method according to recognized guidelines (OECD 107 and EU A.8 method) and under GLP.

No deviation from the guideline was observed during the test but thestudy had deficiencies whichaffect the reliability of the results.

 

Indeed, the samples have been analyzed using an analytical method for which accuracy could not be demonstrated. 

 

Moreover some issues were observed:

·      Based on the analytical concentration of the stock solution,inconsistent recovery values were obtained (Recovery values calculated basing on analyzed concentrations in stock solutions were more than 230%). This indicates that the concentration found by analysis in the n-octanol stock solution was underestimated. No explanation for this phenomenon have been found.

 

·      Based on the nominal concentration of the stock solution, recovery for the various n-octanol: water ratios tested was relatively low and showed a spread. The low recovery values in comparison to the nominal concentrations are consistent with loss of test item by evaporation.

 

The log Powvalues were all in the same range and within the range of ± 0.3 log units as required by the guidelines.

 

As the measurements performed in this study are affected by an unknown uncertainty due to the lack of a reliable analytical procedure, the results obtained in this study have to be considered as estimated values only.

The estimated log of partition coefficient at 20°C is 3.4.

Description of key information

No reliable measurement of the Partition Coefficient Octanol-Water of SULFONYL VINYL ETHER PERFLUORURATE is available due to the lack of a reliable validated analytical method.

The impossibility of establishing a reliable validated method is due to the test item properties (volatile liquid with limited water solubility).

Key value for chemical safety assessment

Additional information

Due to the substance properties (high volatility, low water solubility) no validated analytical method for the measurement of SULFONYL VINYL ETHER PERFLUORURATE in water and octanol is established.

Nevertheless the partition coefficient of the test item was determined with the shake flask method according to recognized guidelines (OECD 107 and EU A.8 method) and under GLP.

No deviation from the guideline was observed during the test but the study had deficiencies which affected the reliability of the results. Indeed, the samples have been analyzed using an analytical method for which accuracy could not be demonstrated.

Moreover some issues were observed during the performance of the test arising questions on the appropriateness of the experimental procedure on the whole (low recovery ratios based on initial nominal concentrations were observed, supposed to be due to evaporation of the test item during the test; inconsistent results in recovery ratios (> 100%) based on initial analytical concentrations). The encountered issues are considered to be due to the substance properties.

As the measurements performed in this study were affected by an unknown uncertainty, the results obtained in this study have to be considered as estimated values only.

The estimated log of partition coefficient at 20°C was 3.4.

Basing on the above, the result of this test is considered not reliable.

Due to substance properties more accurate results were not expected so the test was not repeated.