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Adsorption / desorption

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Reference
Endpoint:
adsorption / desorption: screening
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 18 May 2017 to 06 June 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
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))
Version / remarks:
2008
Deviations:
no
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))
Version / remarks:
2001
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC estimation method
Media:
soil
Radiolabelling:
no
Test temperature:
Column temperature: 35°C ± 1°C
Details on study design: HPLC method:
PKA CALCULATION
pKa acidic: none; pKa basic: none (Perrin calculation method for the logarithm range of 1 - 14, pKalc 5.0, module in Pallas 3.0, CompuDrug International, USA).

HPLC CONDITIONS
- Apparatus: Acquity UPLC system (Waters, USA)
- Detector: Acquity UPLC PDA (Waters)
- Column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 µm (Waters)
- UV detection: 210 nm
- Injection volume: 5 μL

MOBILE PHASE
- Type: unbuffered mobile phase
- Composition: 55/45 (v/v) methanol/water
- Flow: 0.4 mL/min

REFERENCE SUBSTANCE
- Identity: 4,4’-DDT (log Koc 5.63 according to OECD 121 based on soil adsorption data).
- A solution of the reference substance was prepared in dimethyl sulfoxide (DMSO) from a stock solution in methanol.

TEST ITEM
- A 10.0 mg/L test item solution in DMSO was prepared from a stock solution in DMSO.

DETERMINATION OF RETENTION TIMES
- Duplicate injections of the reference substance and test item.
- Single injection of the blank (DMSO).
Key result
Type:
log Koc
Value:
> 5.63 dimensionless
Temp.:
20 °C
Remarks on result:
other: unbuffered mobile phase
Key result
Type:
Koc
Value:
> 430 000 L/kg
Temp.:
20 °C
Remarks on result:
other: unbuffered mobile phase
Details on results (HPLC method):

Retention times of reference 4,4'-DDT (log Koc 5.53): 5.909 and 5.848 min
Retention times of test item: 6.706 and 6.678 min
Conclusions:
The log Koc of the substance was estimated to be > 5.63 (Koc> 4.3E05).


Executive summary:

The HPLC estimation method was used for the determination of the adsorption coefficient (Koc) of the substance. The study was performed in accordance with EC C.19 and OECD 121 and in compliance with GLP. The mobile phase was 55/45 (v/v) methanol/water and the wavelength of detection was 210 nm. The stationary phase contained cyanopropyl chains chemically bonded to silica. One reference substance was used: 4,4'-DDT (log Koc 5.63 based on soil-adsorption reference data). Duplicate injections of the test item and reference substance. The chromatogram of the test item showed one substance peak. The mean (n=2) retention time of the test item was 6.7 min. The mean (n=2) retention time of 4,4'-DDT was 5.9. From this it was concluded that the log Koc of the substance is > 5.63 (Koc > 4.3E05).

Description of key information

The log Koc of the substance is > 5.63 (Koc: > 4.3E05 L/kg), as determined by the HPLC estimation method.

Key value for chemical safety assessment

Koc at 20 °C:
430 000

Additional information

The HPLC estimation method was used for the determination of the adsorption coefficient (Koc) of the substance. The study was performed in accordance with EC C.19 and OECD 121 and in compliance with GLP. The mobile phase was 55/45 (v/v) methanol/water and the wavelength of detection was 210 nm. The stationary phase contained cyanopropyl chains chemically bonded to silica. One reference substance was used: 4,4'-DDT (log Koc 5.63 based on soil-adsorption reference data). Duplicate injections of the test item and reference substance. The chromatogram of the test item showed one substance peak. The mean (n=2) retention time of the test item was 6.7 min. The mean (n=2) retention time of 4,4'-DDT was 5.9. From this it was concluded that the log Koc of the substance is > 5.63 (Koc > 4.3E05).

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