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EC number: 700-541-9 | CAS number: 1472634-24-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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:
- 05 AUG 2016 - 03 FEB 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Reason / purpose for cross-reference:
- reference to other study
- Reason / purpose for cross-reference:
- reference to other 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:
- 22nd January 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
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 25°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: A high performance liquid chromatograph with an UV-VIS detector or MS detector was used. The detection wavelength or MS conditions depended on the characteristics of the test item and the reference items
HPLC-Conditions:
Column: LiChrospher 100 CN (250*4 mm, 5 μm)
Temperature: 25°C
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column
REFERENCE SUBSTANCES
- Identity: Acetanilid, Methylbenzoat, Linuron, 1,2,3 Trichlorobenzene, Pyrazophos, Diclofop-methyl, Sodium nitrate
DETERMINATION OF RETENTION TIMES
- Quantity of test substance/reference substance introduced in the column: Injection Volume: 5, 20 or 50 μL. Smaller injection volumes were required to obtained sharp peaks in case of the reference item.
- Intervals of calibration: logKoc 1.25 - 1.8 - 2.59 - 3.16 - 3.65 - 4.2
REPETITIONS
- Number of determinations: 3 replicates
EVALUATION
- Calculation of capacity factors k': The capacity factor was calculated from the retention of the substance concerned (tr) and the unretarded component (t0): k' = (tr - t0) / t0, with tr = retention time [min] and t0 = time a non-sorbed chemical needs to pass the column (dead time) [min], k' = capacity factor
- Calculation of retention times: An inert substance (not retained by the column) was used to determine the dead time. A stock solution of the compound was prepared by dissolution in pure water (1000 mg/L). This stock solution was diluted with pure water and was injected three times to determine the dead time t0 (t0 = retention time of the unretarded component). The retention time of the inert reference item, the test item and acetanilide were determined using MS scan.
- Determination of the log Koc value: The adsorption coefficient Koc is deduced from the capacity factor k’ using a calibration plot of log k’ versus log Koc of selected reference items. - Type:
- log Koc
- Value:
- < 1.25 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: please refer to 'remarks'
- Remarks:
- The OECD 121 Guideline might not be applicable for test items with surface active properties. The test item is surface active (20.2 mN/m, see report 20100675.04). Therefore, the calculated values (estimated based on the water solubility or the log Kow were log Koc 2.4 or 3.1 respectively) seem to be more plausible than the log Koc determined by the experimental study.
- Type:
- log Koc
- Value:
- 2.4 dimensionless
- Remarks on result:
- other: estimated based on water solubility
- Type:
- log Koc
- Value:
- 3.1 dimensionless
- Remarks on result:
- other: estimated based on log Kow
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: please refer to attached pdf
- Details of fitted regression line (log k' vs. log Koc): Calibration curve: y = 0.1840* x – 0.0648, regression coefficient r² = 0.9941
- Graph of regression line attached: please refer to attached pdf
- Average retention data for test substance: 1.35 min (LCMS analysis) - Validity criteria fulfilled:
- not specified
- Conclusions:
- The log Koc of the test item was estimated to be below 1.25 using HPLC method.
Theoretical estimations of the log Koc based on the water solubility or the log Kow resulted in a log Koc of 2.4 or 3.1, respectively. - Executive summary:
The study was performed under GLP-conditions and according to OECD Guideline 121 and EU Method C.19 to estimate the adsorption coefficient Koc of the test item using HPLC-method. The measured retention time of the test item was correlated with its adsorption coefficient using a calibration graph.
The present study estimated the log Koc of the test item using HPLC method. Based on calibration curves obtained by correlation of the retention time of 6 structurally heterogeneous reference items with their known adsorption coefficient, the log Koc of the test item was estimated to be below 1.25.
Theoretical estimations of the log Koc based on the water solubility or the log Kow resulted in a log Koc of 2.4 or 3.1, respectively.
All values are generated by estimation and thus a discrepancy of the values may be reasonable. The OECD 121 Guideline might not be applicable for test items with surface active properties. The test item is surface active (20.2 mN/m, Huber, 2011b). Therefore, the calculated values seem to be more plausible than the log Koc determined by the experimental study.
Reference
Description of key information
The study was performed under GLP-conditions and according to OECD Guideline 121 and EU Method C.19 to estimate the adsorption coefficient Koc of the test item using HPLC-method. The measured retention time of the test item was correlated with its adsorption coefficient using a calibration graph.
The present study estimated the log Koc of the test item using HPLC method. Based on calibration curves obtained by correlation of the retention time of 6 structurally heterogeneous reference items with their known adsorption coefficient, the log Koc of the test was estimated to be below 1.25.
Theoretical estimations of the log Koc based on the water solubility or the log Kow resulted in a log Koc of 2.4 or 3.1, respectively.
All values are generated by estimation and thus a discrepancy of the values may be reasonable. The OECD 121 Guideline might not be applicable for test items with surface active properties. The test item is surface active (20.2 mN/m, see Huber, 2011b). Therefore, the calculated values seem to be more plausible than the log Koc determined by the experimental study.
Key value for chemical safety assessment
- Koc at 20 °C:
- 251
Additional information
The log Koc was estimated to be below 1.25. However, the OECD 121 Guideline might not be applicable for test items with surface active properties. The test item is surface active (20.2 mN/m, see Huber 2011b). Therefore, the calculated values seem to be more plausible than the log Koc determined by the experimental study. The theoretical estimated log Koc of 3.1 is based on the partition coefficient, which was determined by calculation while the estimated log Koc of 2.4 (Koc = 251) is based on the water solubility, which has been determined according to EU Method A.6, OECD Guideline 105. Thus, the log Koc of 2.4 is most reliable and used as key value.
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