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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
From July 2017 to January 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
The study is conducted according to standardised guideline method and the study result are realible. However, because of analytical limitations it was not possible to determine the exact value of Kow. For this reason this study is used as supporting information in a WoE approach, where the Kow key value of the test item was determined by the ratio of solubilities in Octanol and Water. The Kow results obtained by the two methods are consistent.
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Batch No.of test material: 24/02/2016
- Expiration date of the lot/batch: July 2021
- Purity test date: July 2016

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: In darkness at room temperature
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
> 3.18
Temp.:
20 °C
pH:
> 7.5 - < 8
Details on results:
The concentration of the starting n-octanol test item solution was equal to 1602.7 mg/L.
The temperature during the partition phase was equal to 20.0 °C ± 1 °C.
The pH of the water saturated phase before the partition was equal to 7.69 at 21.0 °C.
The pH of the water phase solutions after the partition were between 7.82 and 8.01 at 21.0 °C.

Table 1 : The results for the SOLVENT N1 in the two phases

Identification

Peak height

ATEST

Meanpeak height

ATEST

Concentration after

dilution

(mg/L)

CD

Dilution factor

Df

Concentration

before

dilution

(mg/L)

C

Pow

Log Pow

16-164 A8ter A1 Phoc dil

13858

13869

167.4

10

1674

> 1641.6

> 3.22

13880

16-164 A8ter A1 Phaq conc

248

259

< 20.4*

0.05

< 1.02

269

16-164 A8ter A2 Phoc dil

12656

12645

153.0

10

1530

> 1500.4

>3.18

12633

16-164 A8ter A2 Phaq conc

336

327

< 20.4*

0.05

< 1.02

327

16-164 A8ter B1 Phoc dil

14094

14085

170.0

10

1700

> 1666.4

> 3.22

14075

16-164 A8ter B1 Phaq conc

603

620

< 20.4*

0.05

< 1.02

637

16-164 A8ter B2 Phoc dil

14637

14625

176.3

10

1763

> 1728.6

> 3.24

14613

16-164 A8ter B2 Phaq conc

869

874

< 20.4*

0.05

< 1.02

878

16-164 A8ter C1 Phoc dil

12763

12798

154.8

10

1548

> 1518.0

> 3.18

12832

16-164 A8ter C1 Phaq conc

390

383

< 20.4*

0.05

< 1.02

375

16-164 A8ter C2 Phoc dil

12822

12769

154.5

10

1545

> 1514.8

> 3.18

12716

16-164 A8ter C2 Phaq dil

270

282

< 20.4*

0.05

< 1.02

294

* LOQ found in the study No. 16-919071-005

Mean Log Pow

> 3.18

SD Log Pow

0.027

Conclusions:
The value of the n-octanol/water partition coefficient log Pow of the test item was found to be higher than 3.18 by using the shake flask method.
Executive summary:

The partition coefficient of the test item was determined with the shake flask method according to recognized guidelines and GLP (OECD Guideline 107 and EU Method A.8). No deviation from the guideline was observed during the study.

The value of the n-octanol/water partition coefficient log Pow of the reaction mass of 1-chloro-2-(difluoromethoxy)-1,1,2,3,3,3-hexafluoro-propane and 2-difluoromethoxy-1,1,1,2,3,3,3-eptafluoro-propane was found to be higher than 3.18 by using the shake flask method.

Description of key information

An OECD 107 study was performed in order to determine the partition coefficient Kow of the SOLVENT N1. However in that study only a limit could be determined (i.e. log Kow > 3.18).

Therefore as key value, the partition coefficient Kow was determined by the ratio between the solubilities of the SOLVENT N1 in n-octanol and in water.

Both the solubility studies in water and n-octanol were carried out using recognized guidelines.

The solubility in water of the test item expressed as SOLVENT N1 at 20 0 °C ± 2.0 °C is determined to be 37.9 mg/L.

The solubility in n-octanol of the test item expressed as SOLVENT N1 at 20 0 °C ± 2.0 °C is determined to be 302 g/L.

Therefore the Kow was determined to be 7968 corresponding to a Log Kow of 3.9

Key value for chemical safety assessment

Log Kow (Log Pow):
3.9
at the temperature of:
20 °C

Additional information

One reliable supporting study (Klimisch 1) is available. In that study, the partition coefficient of the test item was determined with the shake flask method according to recognized guidelines (OECD Guideline 107 and EU Method A.8) and the GLP. No deviations from the guideline were observed during the study.

The value of the n-octanol/water partition coefficient log Kow of the "Reaction mass of 1-chloro-2-(difluoromethoxy)-1,1,2,3,3,3 -hexafluoro-propane and 2-difluoromethoxy-1,1,1,2,3,3,3-eptafluoro-propane" was found to be higher than 3.18 by using the shake flask method.