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EC number: 831-109-9 | CAS number: 5837-73-0
- 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:
- 2021-11-09 to 2021-11-09
- 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:
- May 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:
- adopted January 22, 2001
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus:
- HPLC system: Hitachi LaChrom Elite
L-2000 Organizer, No.: 18E32-083
L-2130 HPLC Pump, No.: 18E17-015
L-2200 Autosampler, No.: 19E40-005
L-2350 Column Oven, No.: 1831-023
- Detector: L-2400 UV Detector, No.: 18E33-030, 200 nm
- Column: LiChrospher 100 CN 250x4 mm, 5 μm; No.: 933278
- Temperature: 25 °C
- Mobile Phase: Acetonitrile : Water = 30 : 70 (v/v)
- Flow Rate: 1 mL/min
- Injection volume: 20 μL
REFERENCE SUBSTANCES
- Identity: Sodium nitrate (CAS no. 7631-99-4), Acetanilide (CAS no. 103-84-4), Pheneol (CAS no. 108-95-2), Methylbenzoate (CAS no. 93-58-3), Atrazine (CAS no. 1912-24-9), Naphthalene (CAS no. 91-20-3), Fenthion (CAS no. 55-38-9)
TEST SOLUTIONS
The reference items were dissolved in Acetonitrile. The concentrations of the stock solutions were about 1 mg/mL. These stock solutions were diluted with eluent resulting in concentrations of approximately 10 μg/mL. The test item was dissolved in Acetonitrile at ca. 1 mg/mL concentration level and was diluted with the mobile phase resulting in a 10 μg/mL solution for the measurements.
PERFORMANCE OF THE TEST
Three series of the above reference solutions were measured. Three samples of the test item solution were measured. The retention times were determined. The three calibration series and three test item samples were measured alternately. For the determination of t0 (t0 = retention time of the unretarded component) three samples of Sodium nitrate solution were injected.
EVALUATION
The capacity factors, k were calculated from the retention times (tR) of the selected reference
items and the dead time (t0): k = (tr-t0)/t0
Then the log k data of the reference items were plotted against their log Koc values. The regression coefficients (a, b) were determined by linear regression calculation using the least squares method. The log Koc value of the test item was calculated, using these regression coefficients and the capacity factor of the test item:
log k = a + b*log Koc
where :
Koc = adsorption coefficient
A = constant
B = slope
K = capacity factor - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 0.75 dimensionless
- Matrix:
- soil/sewage/water
- Remarks on result:
- other: measured using HPLC method; value extrapolated
- Key result
- Sample No.:
- #1
- Phase system:
- other: soil/sewage/water
- Type:
- log Kp
- Value:
- 0.75 dimensionless
- Remarks on result:
- other: measured using HPLC method
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see attached table
- Details of fitted regression line (log k' vs. log Koc): see attached table
- Graph of regression line attached
- Average retention data for test substance: see attached table - Transformation products:
- not measured
- Validity criteria fulfilled:
- yes
- Conclusions:
- Using the HPLC method according to OECD TG 121 the log Koc of the test item was determined to be < 1.25. Its extrapolated log Koc is 0.75 (corresponding to a Koc of 6).
- Executive summary:
The adsorption coefficient (Koc) of the test item was determined using high performance liquid chromatography (HPLC-UV) in accordance with OECD TG 121. Detection was done at 200 nm. Values of log Koc derived from individual measurements fell within a range of 0.25 log units. The correlation coefficient R for the relationship between log k and log Koc for the set of reference items was 1.00. Difference of the estimated adsorption coefficient to the literature value of reference items was within a range of ± 0.5 log units. Therefore, all quality criteria were met. The mean retention time of 3.01 min determined for the test item based on three measurements is lower than the retention time of the first eluting standard: Acetanilide (mean 3.98 min) with a log Koc of 1.25. This result shows that the log Koc of the test item is lower than the calibrated range. The log Koc of of the test item was determined to be < 1.25. Its extrapolated log Koc is 0.75.
Reference
Description of key information
Using the HPLC method according to OECD TG 121 the log Koc of the test item was determined to be < 1.25. Its extrapolated log Koc is 0.75 (corresponding to a Koc of 6).
Key value for chemical safety assessment
- Koc at 20 °C:
- 6
Additional information
The adsorption coefficient (Koc) of the test item was determined using high performance liquid chromatography (HPLC-UV) in accordance with OECD TG 121. Detection was done at 200 nm. Values of log Koc derived from individual measurements fell within a range of 0.25 log units. The correlation coefficient R for the relationship between log k and log Koc for the set of reference items was 1.00. Difference of the estimated adsorption coefficient to the literature value of reference items was within a range of ± 0.5 log units. Therefore, all quality criteria were met. The mean retention time of 3.01 min determined for the test item based on three measurements is lower than the retention time of the first eluting standard: Acetanilide (mean 3.98 min) with a log Koc of 1.25. This result shows that the log Koc of the test item is lower than the calibrated range. The log Koc of of the test item was determined to be < 1.25. Its extrapolated log Koc is 0.75.
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