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EC number: 460-490-0 | CAS number: 477218-42-1
- 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:
- 24-07-2009 to 30-07-2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP. All relevant validity criteria were met.
- 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 (incl. QA statement)
- Remarks:
- inspected: March 2008 ; signature: June 2008
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 35 °C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Perkin Elmer (series 200) HPLC with RI detector
- Type: Nuclleodur 100-5-CN-RP (250 x 4.6 mm id)
- Type, material and dimension of analytical (guard) column: None reported.
- Detection system: RI detection
MOBILE PHASES
- Type: Methanol : purified water (55:45 v/v) Flow rate 1 mL per minute.
- Experiments with additives carried out on separate columns: No
- pH: mobile phase: pH = 7.08
- Solutes for dissolving test and reference substances: None.
DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide (purity: 99.6%, as certified by supplier), 4000 mg/L solution in methanol : purified water (55:45 v/v). Determined in duplicate.
REFERENCE SUBSTANCES
- Identity: 2-Nitrobenzamide, CAS 610-15-1, Purity > or = 98.7%, log Koc 1.45 (OECD Guideline 121); concentration 500mg/L
- Identity: Methyl benzoate, CAS 93-58-3, Purity 100%, log Koc 1.80 (OECD Guideline 121); concentration 500mg/L
- Identity: Naphthalene, CAS 91-20-3, Purity > or = 99%, log Koc 2.75 (OECD Guideline 121); concentration 500mg/L
- Identity: 1,2,3-trichlorobenzene, CAS 87-61-6, Purity > or = 99.9%, log Koc 3.16 (OECD Guideline 121); concentration 500mg/L
- Identity: Phenanthrene, CAS 85-01-8, Purity > or = 99.2%, log Koc 4.09 (OECD Guideline 121); concentration 500 mg/L
- Identity: DDT, CAS 50-29-3, Purity 98.2%, log Koc 5.63 (OECD Guideline 121); concentration 500 mg/L
DETERMINATION OF RETENTION TIMES
- Quantity of test item introduced in the column: 100 μL per injection for dead time and reference items and/or 100 μL for test item; an aliquot of test item (25.1 mg) was diluted in 50 mL methanol.
- Quantity of reference substances: 100 μL per injection of 2 mL mixture of each reference substances above; the concentration of each reference substance is indicated above injected in duplicate.
- Intervals of calibration: The calibration was performed once specific for the study; with a range of log Koc suitable for the test item which cover both substances suitable for sewage sludge and soil under OECD TG 121 guideline.
REPETITIONS
- Number of determinations: Two.
EVALUATION
- Calculation of capacity factors k': Calculated as a ratio of retention time of retained compounds relative to unretained substances after determination of the column dead time.
- Calculation of retention times: Determined empirically relative to the known column dead time.
- Determination of the log Koc value: Capacity factors (log k') for reference substances were plotted against absorption coefficients (log Koc). The log Koc for the test item was then calculated using the resultant equation for the calibration curve and the experimentally determined log k'. - Type:
- log Koc
- Value:
- ca. 3.88 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Type:
- Koc
- Value:
- ca. 7 585.78 L/kg
- pH:
- 7
- Temp.:
- 35 °C
- Details on results (HPLC method):
- EVALUATION
- Calculation of capacity factors k': Calculated as a ratio of retention time of retained compounds relative to unretained substances after determination of the column dead time.
- Calculation of retention times: Determined empirically relative to the known column dead time.
- Determination of the log Koc value: Capacity factors (log k') for reference substances were plotted against absorption coefficients (log Koc). The log Koc for the test item was then calculated using the resultant equation for the calibration curve and the experimentally determined log k'.
- Retention times of reference substances used for calibration: Reference sample injections completed in duplicate.
- Identity: formamide, Retention time average: 3.20 minutes
- Identity: 2-Nitrobenzamide, Retention time average: 3.88 minutes
- Identity: Methyl benzoate, Retention time average: 4.43 minutes
- Identity: Naphthalene, Retention time average: 37.59 minutes
- Identity: 1,2,3-trichlorobenzene, Retention time average: 8.56 minutes
- Identity: Phenanthrene, Retention time average: 12.17 minutes
- Identity: DDT, CAS 50-29-3, Retention time average: 28.29 minutes
- Dead-Time: 3.20 minutes
- Details of fitted regression line (log k' vs. log Koc): Linear regression of all reference substances; A = - 2.245 , B = 2.8812 and R = 0.9738
- Retention data for test item: Single peak. The average retention time; peak 1: 10.91 minutes (Log Koc = 3.88) - Validity criteria fulfilled:
- yes
- Conclusions:
- The test item adsorption coefficient (log Koc) for soil/sewage sludge according to OECD Guideline 121 was estimated to be log Koc = 3.88 at 35°C and ca. pH 7 by HPLC analysis.
- Executive summary:
The study was performed to OECD TG 121 guideline under GLP to assess the adsorption coefficient (Koc) of the test item in accordance with GLP using a high-performance chromatography system. The retention times of the test item and selected reference items were accurately measured using HPLC fitted with a cyanopropyl column. The retention times were consistent over the course of the study. The dead time of the instrument was also measured, and capacity factors were calculated for each substance. Calibration curves were constructed by plotting the capacity factor (log k') for the reference substances against their adsorption coefficients (log Koc). Linear regression analysis was performed, and this showed a reasonable relationship between the capacity factors and the adsorption coefficients. The test was performed at a singular approximately neutral pH (pH 7). The adsorption coefficient of the test item was estimated using the calibration curve constructed from all reference items. Under the conditions of this study, the test item adsorption coefficient (log Koc) for soil/sewage sludge was estimated to be log Koc 3.88 at 35°C and ca. pH 7 by HPLC analysis.
Reference
Description of key information
log Koc = 3.88, 35 °C, ca. pH 7 and 1 atm, OECD TG 121, 2009
The determination was performed at 35°C (column temperature), however the values can be considered to represent the values at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Kow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way
Key value for chemical safety assessment
- Koc at 20 °C:
- 7 586
Additional information
Key study: OECD TG 121, 2009 : The study was performed to OECD TG 121 guideline under GLP to assess the adsorption coefficient (Koc) of the test item in accordance with GLP using a high-performance chromatography system. The retention times of the test item and selected reference items were accurately measured using HPLC fitted with a cyanopropyl column. The retention times were consistent over the course of the study. The dead time of the instrument was also measured, and capacity factors were calculated for each substance. Calibration curves were constructed by plotting the capacity factor (log k') for the reference substances against their adsorption coefficients (log Koc). Linear regression analysis was performed, and this showed a reasonable relationship between the capacity factors and the adsorption coefficients. The test was performed at a singular approximately neutral pH (pH 7). The adsorption coefficient of the test item was estimated using the calibration curve constructed from all reference items. Under the conditions of this study, the test item adsorption coefficient (log Koc) for soil/sewage sludge was estimated to be log Koc 3.88 at 35°C and ca. pH 7 by HPLC analysis.
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