Tributylethylammonium ethyl sulphate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 15 February 2017 to 14 July 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Version / remarks:

2008

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1996

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

0

Temp.:

20 °C

pH:

7

Remarks on result:

other: based on the anion

Key result

Type:

log Pow

Partition coefficient:

-1.7

Temp.:

20 °C

pH:

7

Remarks on result:

other: based on the cation

Details on results:

Based on the anion the analysed concentration of the stock solution was 4.29 g/L; the nominal quantity of the substance in each test sample was 8.58 mg. Recovery range for the test samples: 119% - 330%.

Based on the cation, the analysed concentration of the stock solution was 5.88 g/L; the nominal quantity of the substance in each test sample was 11.8 mg. Recovery range for the test samples: 82% - 104%.

Small responses (anion and cation) were detected in the pretreated phases from the blank test samples. It was assumed in the report that these did not have any effect on the outcome of the study (not further specified).


The log Pow values were within the criterion range of ± 0.3 log units (see table below).

Table: Shake-flask results (based on the response of the anion)

 

Ratio n-octanol : buffer pH 7 [v:v]	Analyzed concentration		Pow		log Pow	pH
	n-octanol [g/L]	buffer pH 7 [g/L]	individual	mean
1:1	1.11	1.27	0.88	0.90	-0.1	7.1
	1.12	1.23	0.91		0.0	7.1
1:2	0.643	0.952	0.68	0.67	-0.2	7.1
	0.648	0.965	0.67		-0.2	7.1
2:1	2.40	1.79	1.3	1.4	0.1	7.1
	2.6 (1)	1.89	1.4		0.1	7.1
Mean			0.98		0.0
Standard deviation			0.31

(1)  calculated by extrapolation of the calibration curve.

Table: Shake-flask results (based on the response of the cation)

 

Ratio n-octanol : buffer pH 7 [v:v]	Analyzed concentration		Pow		log Pow	pH
	n-octanol [g/L]	buffer pH 7 [g/L]	individual	mean
1:1	0.0346	1.76	0.02	0.018	-1.7	7.1
	0.0345	2.00	0.017		-1.8	7.1
1:2	0.0239	1.34	0.018	0.018	-1.7	7.1
	0.0242	1.39	0.017		-1.8	7.1
2:1	0.0691	2.27	0.03	0.028	-1.5	7.1
	0.0727	2.77	0.026		-1.6	7.1
Mean			0.021		-1.7
Standard deviation			0.0055

Conclusions:

Based on the anion, the log Pow of the substance at 20°C and pH 7 was determined to be 0.0.
Based on the cation, the log Pow of the substance at 20°C and pH 7 was determined to be -1.7.

Executive summary:

The partition coefficient n-octanol/water of the substance was determined using the shake-flask method in a GLP study according to EC A.8, OECD 107 and OPPTS 830.7550. The shake-flask method was performed at pH 7 because the substance is a salt. At pH 7, the substance is in its dissociated form (anion and cation). Quantitative analysis was performed by LC-MS-MS on the anion and on the cation.

Based on the anion, the partition coefficient Pow at 20°C and pH 7 was determined to be 0.98 (standard deviation of 0.31). Log Pow: 0.0.

Based on the cation, the partition coefficient Pow at 20°C and pH 7 was determined to be 2.1E-2 (standard deviation of 5.5E-3). Log Pow: -1.7.

Description of key information

log Pow at 20°C and pH 7: 0.0 (based on the anion).

Key value for chemical safety assessment

Log Kow (Log Pow):

0

at the temperature of:

20 °C

Additional information

GLP study (EC A.8, OECD 107, OPPTS 830.7550: shake flask method).

The study was performed at pH 7 as the substance is a salt. At pH 7, the substance is in its dissociated form (anion and cation).

Quantitative analysis was based on both the anion and the cation.