Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
february 2016 - Juy 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report Date:
2016

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:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
1996
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- batch No.of test material: 15-TV09366 - BIN 5/2 BIS C607
- Expiration date of the batch: 31 October 2020

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under test conditions: 31 October 2020

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
4.4
Remarks on result:
other: pH neutral
Type:
Pow
Partition coefficient:
25 000
Remarks on result:
other: pH neutral
Details on results:
- Calculation of the Pow:
The Pow of the test item was calculated to be 5.4 x 10+2 (log Pow 2.7) using the Rekker calculation method.
- Calculation of the pka: No pKa values for acidic and basic groups in the molecular structure of the test item in the logarithm range of 1 - 14 were calculated using the Perrin calculation method.

- HPLC method:
In the chromatogram of the test solution, one test item peak was observed.
The results of the HPLC method are given in Table 1.
The equation of the regression line was: log k’ = 0.296 x log Pow – 0.661 (r = 0.998, n = 12).

Any other information on results incl. tables

Table 1: Pow of the test item and reference substances

Substance

tr,1

[min]

tr,2

[min]

mean tr

(n=2)

log Pow

 

Pow

Formamide (t0)

0.630

0.627

0.629

 

 

Toluene

99.9%

108-88-3

 

2.7

 

1,4-Dichlorobenzene

99.9%

106-46-7

 

3.4

 

1,2,4-Trichlorobenzene

99.9%

120-82-1

 

4.2

 

Dibenzyl

99.9%

103-29-7

 

4.8

 

Triphenylamine

99.9%

603-34-9

 

5.7

 

4,4’-DDT

99.9%

50-29-3

 

6.5

 

Test item

3.380

3.379

3.380

4.4

2.5x104

Applicant's summary and conclusion

Conclusions:
The Pow and log Pow value of the test item at neutral pH was 2.5 x 10E4 and 4.4, respectively.
Executive summary:

The partition coefficient of dichloro trifluoro methoxy dioxolane (CAS 161611 -73 -0) was determined using the HPLC method according to the OECD guideline 117 ( 2004) and in compliance with GLP principles.

The Pow and log Pow value of the test item at neutral pH was 2.5 x 10E4 and 4.4, respectively.