2-Propenoic acid, 2-[[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]thio]ethyl ester

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2020-04-09 to 2020-05-01

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

slow-stirring method

Partition coefficient type:

octanol-water

Analytical method:

gas chromatography

Key result

Type:

log Pow

Partition coefficient:

>= 4.69

Temp.:

25 °C

pH:

4.5

Table 1: Results for the determination of the test item

Sample Description	Time / h	cow/cw^1	Log POW	Average value of log POW per replicate
Replicate 1	119	64590	4.81	4.69
Replicate 1	124	56281	4.75
Replicate 1	143	53121	4.73
Replicate 1	149	51834	4.71
Replicate 1	166	43849	4.64
Replicate 1	171	44965	4.65
Replicate 1	192	36140	4.56
Replicate 2	119	61511	4.79	4.69
Replicate 2	124	63169	4.80
Replicate 2	143	52573	4.72
Replicate 2	149	45993	4.66
Replicate 2	166	39965	4.60
Replicate 2	171	36073	4.56
Replicate 2	192	72901	4.86
Replicate 3	119	53550	4.73	4.69
Replicate 3	124	62613	4.80
Replicate 3	143	46776	4.67
Replicate 3	149	51749	4.71
Replicate 3	166	51633	4.71
Replicate 3	171	44091	4.64
Replicate 3	192	37733	4.58

¹ exact values (shown one digit after the decimal point) calculated using calibration curves

Values in italic were considered as outliers and therefore excluded from the calculation.

weighted average value of log P_OW: 4.692

weighted standard deviation: 1.22E-03

Conclusions:

The log Pow of the test item was determined to be ≥ 4.69 at 25 °C and pH 4.5.

Executive summary:

An experimental study was performed to determine the water-octanol partition coefficient of the test item according to OECD Guideline 123 and Regulation (EC) No. 440/2008, Method A.8 using the Slow Stirring Method. 950 mL of the water pre-saturated with 1-octanol and 50 mL of test solution dissolved in 1-octanol pre-saturated with buffer were filled into test vessels and stirred between 119 and 192 hours. Samples of both phases were taken for subsequent analysis. The test item content was determined by LC-MS/MS. The partition coefficient was calculated based on the results of the analytical determination. The log Pow of the test item was determined to be ≥ 4.69 at 25 °C and pH 4.5.

Description of key information

The log Pow of the test item was determined to be ≥ 4.69 at 25 °C and pH 4.5 (reference 4.7-1).

Key value for chemical safety assessment

Log Kow (Log Pow):

4.69

at the temperature of:

25 °C

Additional information

An experimental study was performed to determine the water-octanol partition coefficient of the test item according to OECD Guideline 123 and Regulation (EC) No. 440/2008, Method A.8 using the Slow Stirring Method. 950 mL of the water pre-saturated with 1-octanol and 50 mL of test solution dissolved in 1-octanol pre-saturated with buffer were filled into test vessels and stirred between 119 and 192 hours. Samples of both phases were taken for subsequent analysis. The test item content was determined by LC-MS/MS. The partition coefficient was calculated based on the results of the analytical determination. The log Pow of the test item was determined to be ≥ 4.69 at 25 °C and pH 4.5.