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EC number: 240-131-2 | CAS number: 15993-42-7
- 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:
- 03 March 2022 - 04 March 2022
- 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))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 40ºC
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Chromatographic column
- Type: HPLC
- Type, material and dimension of analytical (guard) column: Lichrospher ® 100, CN (5 μm), 4 x 250 mm
- Detection system: DAD (Diode Array Detector)
MOBILE PHASES
- Type: methanol/water mixture: methanol/water (55/45% v/v)
- Experiments with additives carried out on separate columns: no
DETERMINATION OF DEAD TIME
- Method: by inert substance which is not retained by the column (thiourea)
REFERENCE SUBSTANCES
- Identity:
For soil: Acetanilide, 2-nitro benzamide, aniline, naphthalene, 1,2,3 - trichloro benzene and phenanthrene.
For sewage sludge: acetanilide, benzamide, aniline, 2,5-dichloro aniline, benzoic acid phenyl ester and phenanthrene.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: ca. 2260 mg/L
- Quantity of reference substances: ca. 100 mg/L
- Intervals of calibration: The calibration injections were carried out before and after injections of the test substance.
REPETITIONS
- Number of determinations: 2
EVALUATION
- Calculation of capacity factors k': k′ = (tR – to)/ to
- Calculation of retention times: HPLC
- Determination of the log Koc value: Koc was deduced from the capacity factor (k′) using a calibration plot of log k′ versus log Koc of the selected reference substances: Log Koc = a + (b × log k’). The log k’ value of a test substance was
used to determine its log Koc value. - Details on test conditions:
- TEST CONDITIONS
The temperature during the measurements were made at 40°C. Temperature from the controlled column compartment was used. - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.79 dimensionless
- Temp.:
- 40 °C
- Matrix:
- Soil
- Remarks on result:
- other: Mean adsorption coefficient (log Koc) of two replicates.
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- 2.49 dimensionless
- Temp.:
- 40 °C
- Matrix:
- Sewage sludge
- Remarks on result:
- other: Mean adsorption coefficient (log Koc) of two replicates.
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see tables below.
- Details of fitted regression line (log k' vs. log Koc): see tables below
- Graph of regression line attached: see graphs below
- Average retention data for test substance: see tables below - Transformation products:
- no
- Validity criteria fulfilled:
- yes
- Remarks:
- (The determined values of log Koc derived from individual measurements of replicate samples (in duplicate) of the test item were within a range of 0.25 log unit)
- Conclusions:
- The Adsorption coefficient (log Koc) on soil and sewage sludge of the test item
were estimated by HPLC analysis. Log Koc of the test item was estimated to be 2.49 on sewage sludge and 1.79 on soil. - Executive summary:
The adsorption coefficient (Koc) on soil and on sewage sludge of the test item was determined by using a high-performance liquid chromatography system in accordance with OECD Guideline 121, under GLP conditions. The selected reference substances for sewage sludge were acetanilide, benzamide, aniline, 2,5-dichloro aniline, benzoic acid phenyl ester and phenanthrene. The selected reference substances for soil were acetanilide, 2-nitro benzamide, aniline, naphthalene, 1,2,3 - trichloro benzene and phenanthrene. The dead time of the instrument was determined by injecting the inert substance thiourea which is not retained by the column and the capacity factors for each reference substance were calculated based on dead time retention time. The retention times of the test substance and selected reference substances were accurately determined using HPLC fitted with a Lichrospher CN column at 40ºC. The regression curve for the reference substances were constructed by plotting the capacity factor (log k') against their known adsorption coefficients (log Koc). The adsorption coefficient of the test item was estimated using this regression curve for both soil and sewage sludge. Solutions of test item (2 replicates) were run in duplicate. The mean adsorption coefficient (log Koc) of test item of two replicates was estimated to be 2.49 for sewage sludge and 1.79 for soil. The determined values of log Koc derived from the individual measurements of the test item were within a range of 0.25 log unit, thus the quality criterium for repeatibility of the Guideline was fulfilled.
Reference
Table 1. Dead time determination for sewage sludge
Name of the Reference Substance | Replicate Injections | t0 Dead time (min) | Mean t0 Dead time (min) |
Thiourea | R1 | 2.807 | 2.810 |
R2 | 2.813 |
Table 2. Dead time determination for soil
Name of the Reference Substances | Replication | t0 Dead time (min) | Mean t0 Dead time (min) |
Thiourea | R1 | 2.807 | 2.810 |
R2 | 2.813 |
Table 3. Determination of capacity factor of the selected reference substances for sewage sludge
Name of the Reference Substances | Replicate Injections | tR Retention time (min) | Mean tR Retention time (min) | Capacity Factor k' | log Koc for Sewage Sludge | log k' |
Acetanilide | R1 | 3.327 | 3.330 | 0.19 | 1.52 | -0.73 |
R2 | 3.333 | |||||
Benzamide | R1 | 3.120 | 3.120 | 0.11 | 1.60 | -0.96 |
R2 | 3.120 | |||||
Aniline | R1 | 3.387 | 3.387 | 0.21 | 1.74 | -0.69 |
R2 | 3.387 | |||||
2,5-Dichloroaniline | R1 | 3.113 | 3.113 | 0.11 | 2.45 | -0.97 |
R2 | 3.113 | |||||
Benzoic acid phenyl ester | R1 | 4.773 | 4.773 | 0.70 | 3.26 | -0.16 |
R2 | 4.773 | |||||
Phenanthrene | R1 | 6.633 | 6.623 | 1.36 | 4.35 | 0.13 |
R2 | 6.613 | |||||
Slope (b) | 2.2041 | |||||
Intercept (a) | 3.7240 | |||||
Correlation Coefficient (r) |
| |||||
Coefficient of Determination (R2) | 0.7750 |
Table 4. Determination of capacity factor of the selected reference substances for soil
Name of the Reference Substances | Replicate Injections | tR Retention time (min) | Mean tR Retention time (min) | Capacity Factor k' | log Koc for Soil | log k' |
Acetanilide | R1 | 3.327 | 3.330 | 0.19 | 1.25 | -0.73 |
R2 | 3.333 | |||||
2-Nitrobenzamide | R1 | 4.127 | 4.130 | 0.47 | 1.45 | -0.33 |
R2 | 4.133 | |||||
Aniline | R1 | 3.387 | 3.390 | 0.21 | 2.07 | -0.69 |
R2 | 3.393 | |||||
Naphthalene | R1 | 4.827 | 4.820 | 0.72 | 2.75 | -0.15 |
R2 | 4.813 | |||||
1,2,3-Trichlorobenzene | R1 | 4.753 | 4.750 | 0.69 | 3.16 | -0.16 |
R2 | 4.747 | |||||
Phenanthrene | R1 | 6.620 | 6.620 | 1.36 | 4.09 | 0.13 |
R2 | 6.620 | |||||
Slope (b) | 2.7463 | |||||
Intercept (a) | 3.3406 | |||||
Correlation Coefficient (r) |
| |||||
Coefficient of Determination (R2) | 0.7251 |
Table 5. Determination of capacity factor and adsorption coefficient of test item for sewage sludge
Details | Replicate Injections | tR Retention time (min) | Mean tR Retention time (min) | Capacity Factor k' | log k' | log Koc for Sewage Sludge | Mean log Koc for Sewage Sludge | Standard Deviation (±) |
Test Item R1 | Rep 1 | 3.593 | 3.590 | 0.28 | -0.56 | 2.50 | 2.49 |
0.0118 |
Rep 2 | 3.587 | |||||||
Test Item R2 | Rep 1 | 3.580 | 3.577 | 0.27 | -0.56 | 2.48 | ||
Rep 2 | 3.573 |
Table 6. Determination of capacity factor and adsorption coefficient of test item for soil
Details | Replicate Injections | tR Retention time (min) | Mean tR Retention time (min) | Capacity Factor k' | log k' | log Koc for Soil | Mean log Koc for Soil | Standard Deviation (±) |
Test Item R1 | Rep 1 | 3.573 | 3.577 | 0.27 | -0.56 | 1.79 | 1.79 |
0.0039 |
Rep 2 | 3.580 | |||||||
Test Item R2 | Rep 1 | 3.573 | 3.573 | 0.27 | -0.57 | 1.79 | ||
Rep 2 | 3.573 |
Description of key information
Key study: Adsortion using the HPLC method according to OECD 121, GLP study. The Adsorption coefficient (log Koc) on soil and sewage sludge of the test item were estimated by HPLC analysis. Log Koc of the test item was estimated to be 2.49 on sewage sludge and 1.79 on soil. From these results, the Koc are calculated to be 309 L/kg for sewage sludge and 61.7 L/kg for soil. As a coservative approach, Koc = 309 L/kg is taken as the representative value for further assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 309
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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