Reaction mass of 1-chloro, 2-(difluoromethoxy) -1,1,2,3,3,3-hexafluoropropane and 2-difluoromethoxy-1,1,1,2,3,3,3-eptafluoro-propane

Partition coefficient

Link to relevant study record(s)

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

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

GLP compliance:

yes (incl. QA statement)

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.