Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
12 - 16 April 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report Date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
Regulation (EC) No 440/2008
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
chemical analyses were performed non-GLP
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
impurity
Type:
impurity
Test material form:
liquid: volatile
Details on test material:
Batch No: 57161235
Storage: Room temperature (approx. 20°C)

Study design

Analytical method:
gas chromatography
mass spectrometry

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
1.36
Temp.:
23 °C
pH:
>= 6.2 - <= 6.5
Remarks on result:
other: The determined log POW values ranged from 1.32 to 1.39 for all three volume ratios and all replicates. Std. deviation from six determinations: ±0.02.
Details on results:
Calculation method
The log Pow of the test item was calculated to be 1.22 using EPI Suite™ v4.11, KOWWIN v1.68.

Flask method
The determined log Pow values ranged from 1.32 to 1.39 for all three volume ratios and all replicates. The mass balance recovery rates in the range of 72% to 81% indicate a test item loss. However, the recovery rate for the 1-octanol test item stock solution was in the same range with 71%. As this solution was not shaken but only diluted for analytical determination, the test item loss should either have occurred during its preparation and/or during the sample preparation for analytical determination. Both is possible due to the ready volatility of the test item. In either case, the equilibrium state of the test item in the test assays and thus the result of this study is not in question, as the test item loss seems not to have occurred during the establishment of the equilibrium.
The log Pow of the test item is given as the mean value of all measurements. Detailed results are given in the table in the field 'Any other information on results incl. tables'.

Any other information on results incl. tables

Ratio n-octanol:water (v:v)

Analysed concentration

n-octanol (mg/L)

Analysed

concentration

water (mg/L)

 
 Pow  logPow
 1:4   676  27.8  24.4  1.39
 1:4   664  28.5  23.3  1.37
 1:9   571  24.9  23.0  1.36
 1:9   525  23.1  22.8  1.36
 1:19   372  18.0  20.7  1.32
1:19  421  18.5  22.7  1.36
 Mean        1.36

Further remarks:

The estimated log Pow of 1.22 (EPI Suite™ v4.11, KOWWIN v1.68) further confirms the validity of this study, as it is very comparable with the log Pow of 1.36 determined in this study.

Applicant's summary and conclusion

Conclusions:
The shake flask method acc. to TG OECD 107 was applied for the determination of the log Pow of Vinyl propionate (CAS 105-38-4). The determined log Pow value of Vinyl propionate (CAS 105-38-4) at a pH of 6.2 to 6.5 is 1.36 with a standard deviation of ± 0.02.
Executive summary:

The log Pow of the test item Vinyl propionate (CAS no. 105 -38 -4) was determined according to TG OECD 107.

Ultra-pure water, 1-octanol and the test item were equilibrated in test vessels by shaking, applying three different volume ratios of the two solvents. Subsequently, the test item concentrations were determined in both solvent phases. The determined log Pow values ranged from 1.32 to 1.39 for all three volume ratios and all replicates.

The determined log Pow value of Vinyl propionate at a pH of 6.2 to 6.5 is 1.36 with a standard deviation of ± 0.02.

The validity criterion was fulfilled.