Phosphoric acid, mono- and di-decyl ester, compd. with 2,2',2''-nitrilotris[ethanol]

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 November 24, 2016 to December 16, 2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

not specified

Type of method:

other: Shake flask method

Partition coefficient type:

octanol-water

Analytical method:

liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

0.718

Temp.:

22.3 °C

pH:

ca. 7.37 - ca. 7.46

Key result

Type:

Pow

Partition coefficient:

5.23

Temp.:

22.3 °C

pH:

ca. 7.37 - ca. 7.46

Details on results:

Total average over 6 independent determinations: Pow = 5.23 ± 2.3 and Log Pow = 0.718

Table 1: Concentrations of the different test solutions in 1-octanol phase and aqueous phase

Test mixture	Concentration of test substance [mg/g], 1-octanol phase	Concentration of test substance [mg/g], aqueous phase
1	2.774	0.201
2	2.800	0.206
3	1.396	0.146
4	1.360	0.147
5	0.649	0.090
6	0.659	0.089

 

Table 2. Calculated P_owand log P_owvalues

Test mixture	Pow	log Pow	AveragePow	Average log Pow
1	13.769	1.139	10.14 ± 2.9	1.006
2	13.565	1.132
3	9.573	0.981
4	9.274	0.967
5	7.238	0.860
6	7.442	0.872

Conclusions:

Under the study conditions, the partition coefficient of the substance was determined to be 1.006 (log Pow) and 10.14 ± 2.9 (Pow) at 22.2°C and pH 7.18 to 7.26.

Executive summary:

A study was conducted to determine the partition coefficient of the test substance, according to OECD Guideline 107. Preliminary tests showed that the shake flask method was a suitable method. No reference substance was used in this test and the test system was calibrated using the test substance. For the preparation of the test mixtures, a stock solution was created by dissolving 125.5 mg of the test substance in 100 mL 1-octanol (pre-saturated with buffer solution pH 7.0) . The test mixtures were prepared by adding buffer solution (pre-saturated with 1-octanol) to the stock solution. These test mixtures were stirred thoroughly for 2 h at 22.3°C. Phase separation was then achieved by centrifugation (20 min, 3500 RPM at 22°C). The concentrations of the different test solutions were determined using liquid chromatography with UV detector. Under the study conditions, the partition coefficient of the substance was determined to be 1.006 (log Pow) and 10.14 ± 2.9 (Pow) at 22.2°C and pH 7.18 to 7.26 (Schwarzkopf, 2017).

Description of key information

The partition coefficient was determined according to OECD Guideline 107 (Schwarzkopf, 2017).

Key value for chemical safety assessment

Log Kow (Log Pow):

1.006

at the temperature of:

22.2 °C