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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:
Dec 3, 2014 to Apr 28, 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
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
Qualifier:
according to
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
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC estimation method
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Designation in Test Facility 14111701G
- Expiration date of the lot/batch: 17.Nov.2016/Batch No. 6F11027000
- Purity: 96%
Radiolabelling:
no
Test temperature:
25 ± 0.5°C
Details on study design: HPLC method:
EQUIPMENT
- Apparatus: HPLC
- Eluent: isocratic methanol/water 55/45 (% v/v), degassed
- Flow rate: 0.8 mL/min
- Injection volume: 20 µL
- Column: Reprosil PurCN 125*4.6 mm, with pre-column Phenom-enex Security Guard CN, 4x3 mm
- Cyanopropyl chemical bound resin on a silica base column
- Wavelength for evaluation: 200nm

DETERMINATION OF DEAD TIME
- Method: measured using an unretained compound (sodium nitrate), included in the mix of the reference items

REFERENCE SUBSTANCES
- Identity: sodium nitrate; phenol; methylbenzoate; naphthalene; 1,2,3-trichlorobenzene; phenanthrene; DDT
- reference items dissolved in the mobile phase; all were analytical grade

DETERMINATION OF RETENTION TIMES
- Concentration injected of test substance introduced in the column: 5 mg/L
- Concentration injected of reference substances: sodium nitrate (2.0 mg/L); phenol (4.0 mg/L); methylbenzoate (2.0 µg/L); naphthalene (2.0 mg/L); 1,2,3-trichlorobenzene (4.0 mg/L); phenanthrene (3.0 mg/L); DDT (10.0 mg/L)
- Intervals of calibration: 6 measurements of the capacity factors of the reference items

REPETITIONS
- Number of determinations: 3

EVALUATION
- Calculation of capacity factors k': yes
- Calculation of retention times: Retention times were measured
- Determination of the log Koc value: Each log Koc from the 3 determinations were calculated using the calculated capacity factors
Analytical monitoring:
yes
Computational methods:
Adsorption coefficient per organic carbon (Koc): The HPLC retention times of the seven peaks of the reference item mix and the rentation time of the peak of the test item were used for further calculations
Key result
Type:
log Koc
Value:
ca. 4.426 dimensionless
Details on results (HPLC method):
- Mean retention times of reference substances used for calibration: sodium nitrate (1.113 min); phenol (2.705 min); methylbenzoate (3.093 min); naphthalene (4.305 min); 1,2,3-trichlorobenzene (4.941 min); phenanthrene (6.939 min); DDT (14.540 min)
- Details of fitted regression line (log k' vs. log Koc): r2 = 0.999
- Average retention data for test substance: 8.314 min
Validity criteria fulfilled:
yes
Remarks:
Criteria Parameters:Range (Max - Min. log Koc); Value within Range of Calibration
Conclusions:
Based on the calibration function log K versus log Koc, the corresponding log Koc was determined as 4.426 ± 0.011 (mean± standard deviation). The study was performed using a HPLC with a cyanopropyl chemical bound resin on a silica base column.
Executive summary:

Based on the calibration function log K versus log Koc, the corresponding log Koc was determined as 4.426 ± 0.011 (mean± standard deviation). The study was performed using a HPLC with a cyanopropyl chemical bound resin on a silica base column.

Description of key information

Following the OECD 121 HPLC method and based on the calibration function log K versus log Koc, the corresponding log Koc was determined as 4.426 ± 0.011 (mean± standard deviation).

Key value for chemical safety assessment

Koc at 20 °C:
26 668

Additional information