4-[difluoro(3,4,5-trifluorophenoxy)methyl]-2',3,5-trifluoro-4''-pentyl-1,1':4',1''-terphenyl

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2009-01-14 to 2009-02-11

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

Deviations:

no

GLP compliance:

yes

Type of method:

HPLC estimation method

Radiolabelling:

no

Test temperature:

25 °C

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: HPLC System Agilent 1100 series
- Type, material and dimension of analytical column: LiChrospher 100 CN-5 µm, column size: 250 mm x 0 4.6 mm, particle size: 5 µm, pore size: 100 A, column temperature: 25 °C, material: stainless steel
- Detection system: UV/Vis detector

MOBILE PHASES
- Type: Methanol, distilled water 70:30 % (v/v) (pH= 6.6 at 20.3 °C), isocratic elution
- Experiments with additives carried out on separate columns: no
- Solutes for dissolving test and reference substances: methanol

DETERMINATION OF DEAD TIME
- Method: by using a "dead time marker"

REFERENCE SUBSTANCES
- Identity: Acetanilide, Atrazin, Monuron, Triadimenol, Linuron, Pyrazophos, Diclofop-methyl, DDT

REPETITIONS
- Number of determinations: 2

Key result

Type:

log Koc

Value:

8.31 dimensionless

Temp.:

25 °C

Key result

Type:

Koc

Value:

204 173 795 L/kg

Temp.:

25 °C

Details on results (HPLC method):

- Dead time: t0 = 3.30 min

Table 1: Determination of the Dead Time t₀

Dead time marker	t0 in min 1^stMeasurement	t0 in min 2^ndMeasurement	t0 in min Mean
Formamide	3.30	3.30	3.30

Dead time: t₀ = 3.30 min

 

Table 2: Calibration Data – 1^st Measurement (*from OECD guideline 121, adopted January 2001)

Calibration substance	1^stInj. tR in min	k	log k	log Koc *
Acetanilide	3.62	0.10	-1.01	1.25
Atrazin	3.65	0.11	-0.97	1.81
Monuron	3.79	0.15	-0.82	1.99
Triadimenol	3.86	0.17	-0.77	2.40
Linuron	4.08	0.24	-0.62	2.59
Pyrazophos	4.41	0.34	-0.47	3.65
Diclofop-methyl	4.50	0.37	-0.44	4.20
DDT	5.32	0.61	-0.21	5.63

Regression: log Koc = a + b * log k

Parameters: a = 6.31

b = 5.08

r² = 0.9484

 

Table 3: log Koc of the Test Item – 1^st Measurement

	1^stInj. tR in min	k	log k	log Koc
Test Item	11.2	2.40	0.38	>5.6^1)(8.25)

1) above log Koc value of the highest calibration substance (DDT)

Table 4: Calibration Data – 2^nd Measurement (*from OECD guideline 121, adopted January 2001)

Calibration substance	2^ndInj. tR in min	k	log k	log Koc *
Acetanilide	3.63	0.10	-0.99	1.25
Atrazin	3.66	0.11	-0.96	1.81
Monuron	3.80	0.15	-0.82	1.99
Triadimenol	3.86	0.17	-0.76	2.40
Linuron	4.09	0.24	-0.62	2.59
Pyrazophos	4.42	0.34	-0.47	3.65
Diclofop-methyl	4.50	0.37	-0.44	4.20
DDT	5.32	0.62	-0.21	5.63

Regression: log Koc = a + b * log k

Parameters: a = 6.34

b = 5.16

r² = 0.9498

Table 5: log Koc of the Test Item – 2^nd Measurement

	2^ndInj. tR in min	k	log k	log Koc
Test Item	11.4	2.47	0.39	>5.6^1)(8.37)

1) above log Koc value of the highest calibration substance (DDT)

 

Table 6: log Koc of the Test Item

	log Koc
1^st Measurement	>5.6 (8.25)
2^nd Measurement	>5.6 (8.37)
Mean	>5.6 (8.31)

 

Validity criteria fulfilled:

yes

Conclusions:

The adsorption coefficient of the test item was found to be log Koc > 5.6 (8.31) at 25 °C. The Koc was 204173795 L/kg at 25 °C.

Executive summary:

A study according to OECD 121 and EU Method C.19 was performed to determine the adsorption coefficient log Koc of the test item. The HPLC method was used. A series of reference substance, in accordance to OECD 121, was used as calibration series for the HPLC measurements. Two series were injected. Each series included the calibration substances and the test item. The test item was injected in-between the series of the calibration substances. The dead time t0 was determined by measuring the retention time of a dead time marker - Formamide. The dead time marker was dissolved in methanol and diluted from 0.1 mL to 1 mL with the mobile phase methanol/distilled water 70:30 % (v/v) and injected as single standards twice. The calibration substances were dissolved methanol and diluted from 0.1 mL to 1 mL with the mobile phase methanol/distilled water 70:30 % (v/v) and injected as single standards twice. The test item was dissolved in methanol and diluted from 0.05 mL to 1 mL with 0.65 mL methanol and 0.3 mL distilled water and injected as single sample twice. The dead time t0 was determined to be 3.3 min. The adsorption coefficient of the test item was found to be log Koc > 5.6 (8.31) at 25 °C. The Koc was 204173795 L/kg at 25 °C.

Description of key information

The adsorption coefficient of the test item was found to be log Koc > 5.6 (8.31) at 25 °C. The Koc was 204173795 L/kg at 25 °C (reference 5.4.1-1).

Key value for chemical safety assessment

Koc at 20 °C:

204 173 795

Additional information

A study according to OECD 121 and EU Method C.19 was performed to determine the adsorption coefficient log Koc of the test item. The HPLC method was used. A series of reference substance, in accordance to OECD 121, was used as calibration series for the HPLC measurements. Two series were injected. Each series included the calibration substances and the test item. The test item was injected in-between the series of the calibration substances. The dead time t0 was determined by measuring the retention time of a dead time marker - Formamide. The dead time marker was dissolved in methanol and diluted from 0.1 mL to 1 mL with the mobile phase methanol/distilled water 70:30 % (v/v) and injected as single standards twice. The calibration substances were dissolved methanol and diluted from 0.1 mL to 1 mL with the mobile phase methanol/distilled water 70:30 % (v/v) and injected as single standards twice. The test item was dissolved in methanol and diluted from 0.05 mL to 1 mL with 0.65 mL methanol and 0.3 mL distilled water and injected as single sample twice. The dead time t0 was determined to be 3.3 min. The adsorption coefficient of the test item was found to be log Koc > 5.6 (8.31) at 25 °C. The Koc was 204173795 L/kg at 25 °C (reference 5.4.1-1).