Tributylmethylammonium chloride

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

18 June 2015 - 27 November 2015

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:

high-performance liquid chromatography

Type:

Pow

Partition coefficient:

0.01

Temp.:

20 °C

pH:

6.9

Remarks on result:

other: Mean value (n=5). Standard deviation: 0.00077

Type:

log Pow

Partition coefficient:

-2

Temp.:

20 °C

pH:

6.9

Details on results:

- The analysed concentration of the stock solution was 3.74 g/L.
- The nominal quantity in each test sample was 7.49 mg.
- The quantity analysed in each test sample ranged from 6.18 mg to 7.89 mg; recovery ranged from 83% to 105%
- The log Pow values (without the outlier) were within the criterion range of ± 0.3 log units.
- A small response was detected in the chromatograms of pretreated samples from the blank mixture. The responses were similar to those observed in chromatograms of blank 50/50 (v/v) acetonitrile/water and therefore not considered to derive from the test substance.

Table: Shake-flask method results

  

Ratio n-octanol : water [v:v]	Analysed concentration		Pow		log Pow	pH
	n-octanol [g/L]	water [g/L]	individual	mean
1:1	0.0110	1.13	9.7 E-03	1.0 E-02	-2.0	6.9
	0.0104	1.02	1.0 E-02		-2.0	6.9
1:2	0.00792	0.852	9.3 E-03	9.4 E-03	-2.0	6.9
	0.00735	0.778	9.4 E-03		-2.0	6.9
2:1	0.0187	1.67	1.1 E-02	1.1 E-02	-2.0	6.9
	0.0932^a	1.79	5.2 E-02		-1.3^b	6.9

a  Estimated value; peak shape was poor and concentration was calculated by extrapolation of the calibration curve.

b  Outlier according to the Dixon’s Q-test at 90% confidence level. Not used for the calculation of the mean log Pow value.

 

Table: Recoveries

Ratio n-octanol : water [v:v]	Analysed quantity			Recovery [%]
	n-octanol [mg]	water [mg]	total [mg]
1:1	0.0659	6.77	6.83	91
	0.0625	6.12	6.18	83
1:2	0.0317	6.82	6.85	91
	0.0294	6.23	6.26	84
2:1	0.149	6.66	6.81	91
	0.746^a	7.15	7.89	105

^a              Estimated value; peak shape was poor and concentration was calculated by extrapolation of the calibration curve.

 

 

Conclusions:

Using the shake-flask method at pH 7 and 20°C, the log Pow has been determined as -2.0. The result is based on the cation, representing the substance in its ionized form.
The study was performed in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550 and in compliance with GLP.

Description of key information

Using the shake-flask method at pH 7 and 20°C, the log Pow of the substance was determined as -2.0.

The study was performed with MTBAC, a salt. The cation was monitored in both phases. The study was performed in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550 and in compliance with GLP.

Key value for chemical safety assessment

Log Kow (Log Pow):

-2

at the temperature of:

20 °C

Additional information

The result is based on the cation, representing the substance in its ionized form.