Reaction mass of 3,4,5-trichlorophthalic acid, strontium salt and 3,4,6-trichlorophthalic acid, strontium salt and 3,4-dichlorophthalic acid, strontium salt and 3,5-dichlorophthalic acid, strontium salt and 3,6-dichlorophthalic acid, strontium salt and 3-chlorophthalic acid, strontium salt and 4,5-dichlorophthalic acid, strontium salt and 4-chlorophthalic acid, strontium salt

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2019-10-11 to 2019-10-31

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

Section 1, Test No. 117

Qualifier:

according to guideline

Guideline:

other: EU Method A.24 (Partition Coefficient (n-Octanol/Water), High Performance Liquid Chromatography (HPLC) Method)

Version / remarks:

Annex, Part A

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

mass spectrometry

Type:

log Pow

Partition coefficient:

1.9

Temp.:

20 °C

pH:

2.68

Remarks on result:

other: This log Pow refers to the main constituent Strontium 4,5-dichlorophthalate

Type:

log Pow

Partition coefficient:

1.1

Temp.:

20 °C

pH:

2.68

Remarks on result:

other: This log Pow refers to the constituent Strontium 3,4-dichlorophthalate

Type:

log Pow

Partition coefficient:

0.9

Temp.:

20 °C

pH:

2.68

Remarks on result:

other: This log Pow refers to the constituents Strontium 3,6-dichlorophthalate and Strontium 4-dichlorophthalate

Type:

log Pow

Partition coefficient:

2

Temp.:

20 °C

pH:

2.68

Remarks on result:

other: This log Pow refers to the constituents Strontium 3,4,6-trichlorophthalate and Strontium 3,4,5-trichlorophthalate

Test item solution

11.63 mg of the test item were weighed into a 50 mL volumetric flask, 30 mL water were added and then the flask was placed for 5 minutes into an ultrasonic bath and subsequently filled up to the mark with methanol (stock solution). 5 mL of this stock solution were pipetted into a 20 mL volumetric flask and then filled up to the mark with methanol (test solution). This test solution was injected into the HPLC. With regard to the certificate of analysis of the test item the concentrations of the evaluated test item peaks were (Table 4):

Table 4: Concentrations of evaluated test item peaks in test solutions

Substance name Certificate of Analysis	Concentration [mg/L]
Strontium 4,5-dichlorophthalate	35.23
Strontium 3,4-dichlorophthalate	11.96
Strontium 3,6-dichlorophthalate + Strontium 4-chlorophthalate	6.16
Strontium 3,4,6-trichlorophthalate + Strontium 3,4,5-trichlorophthalate	2.66

In the following Table 5 the measured retention time values of the test item and its constituents and the resulting log Pow values are summarized. The assignment of the peaks to the constituents of the test item were done with regard to the certificate of analysis of the sponsor and the found mass spectra.

Table 5: log Pow of the test item and constituents in water with 0.1 v-% formic acid (pH 2.68)

Strontium 4,5- dichlorophthalate**	1st Injection	2nd Injection	3rd Injection	Mean Value
Retention time [min]	4.615	4.616	4.616	4.616
log Pow	1.86	1.85	1.86	1.9^*)
Strontium 3,4- dichlorophthalate	1st Injection	2nd njection	3rd Injection	Mean Value
Retention time [min]	3.408	3.408	3.408	3.408
log Pow	1.09	1.09	1.09	1.1^*)
Strontium 3,6- dichlorophthalate and Strontium 4- chlorophthalate	1st Injection	2nd Injection	3rd Injection	Mean Value
Retention time [min]	3.211	3.211	3.210	3.211
log Pow	0.91	0.90	0.91	0.9^*)
Strontium 3,4,6- trichlorophthalate and Strontium 3,4,5 - trichlorophthalate	1st Injection	2nd Injection	3rd Injection	Mean Value
Retention time [min]	5.003	5.004	5.003	5.003
log Pow	2.03	2.03	2.03	2.0^*)

*) Mean value is rounded to 1 decimal place. the single injection values were rounded to 2 decimal places

**) Test item main constituent

Conclusions:

The following log Pow values (as mean values of three determinations) of the test item´s constituents were determined at 20 °C and a pH of 2.68:
- Strontium 4,5-dichlorophthalate (main constituent) = 1.9
- Strontium 3,4-dichlorophthalate = 1.1
- Strontium 3,6-dichlorophthalate and Strontium 4-dichlorophthalate = 0.9
- Strontium 3,4,6-trichlorophthalate and Strontium 3,4,5-trichlorophthalate = 2.0

Executive summary:

The log Pow values of the test item´s constituents were determined using the HPLC method according to OECD Guideline 117. The test was performed at 20 °C and at a pH value of 2.68 (aqueous phase) to achieve a better resolution of the test item´s constituents. In this study the following log Pow values (as mean values of three determinations) were reported:

- Strontium 4,5-dichlorophthalate (main constituent) = 1.9

- Strontium 3,4-dichlorophthalate = 1.1

- Strontium 3,6-dichlorophthalate and Strontium 4-dichlorophthalate = 0.9

- Strontium 3,4,6-trichlorophthalate and Strontium 3,4,5-trichlorophthalate = 2.0

 

Description of key information

The log Pow values of the test item´s constituents were determined using the HPLC method according to OECD Guideline 117.The test was performed at 20 °C and at a pH value of 2.68 (aqueous phase) to achieve a better resolution of the test item´s constituents. In this study the following log Pow values were reported:

- Strontium 4,5-dichlorophthalate (main constituent) = 1.9

- Strontium 3,4-dichlorophthalate = 1.1

- Strontium 3,6-dichlorophthalate and Strontium 4-dichlorophthalate = 0.9

- Strontium 3,4,6-trichlorophthalate and Strontium 3,4,5-trichlorophthalate = 2.0