Registration Dossier
Registration Dossier
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EC number: 211-941-3 | CAS number: 717-74-8
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- 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
- 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
- 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. QA statement)
- 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.
Reference
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
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