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EC number: 249-120-7 | CAS number: 28645-51-4
- 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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard OECD test guidelines
- 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))
- GLP compliance:
- no
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- 25 °C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC
- - Type: HPLC Model No.: Agilent Technologies,1260 Infinity
- Type, material and dimension of analytical (guard) column: ZORBAX Eclipse Plus C18, 4.6×100 mm, 3.5 µm
- Flow rate: 1.0 ml/min
- Guard columns: C18
- Detection system: Chem Station Open lab Control Panel at a wavelength of 210 nm
- Temperature: 25°C
- Detector : Diode Array Detector
MOBILE PHASES
- Type: Acetonitrile: water (55:45)
- Experiments with additives carried out on separate columns: no
DETERMINATION OF DEAD TIME
- Method: by means of homologous series / by inert substances which are not retained by the column
REFERENCE SUBSTANCES
- Identity: The reference substances were 2-Nitrobenzamide, 3,5-Dinitrobenzamide, Phenol, Acetanilide, Naphthalene and Phenanthrene having Koc value ranging from 0.9 to 3.4.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10µL
- Quantity of reference substances: 10µL
REPETITIONS
- Number of determinations: Duplicates
EVALUATION
- Calculation of retention times: Retention time tR was measured to calculate the capacity factors k' (mentioned in equation no. 1), it was then converted in log to obtain log k'.
- Determination of the log Koc value: A standard curve between log k versus log Koc was plotted to obtain the value of log Koc of the test chemical. - Analytical monitoring:
- not required
- Details on sampling:
- - Concentrations: 400 mg/L
- Preparation of Test chemical: The sample of test chemical was prepared by accurately weighing 10.8 mg and diluted with acetonitrile up to 10 mL to obtain the concentration of 400 mg/L. The pH of the resulting solution was found to be 6.4 - Details on matrix:
- Not applicable
- Details on test conditions:
- Not applicable
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 3.33 dimensionless
- pH:
- 6.4
- Temp.:
- 25 °C
- Remarks on result:
- other: logKoc was reported to be 3.330±0.002
- Details on results (HPLC method):
- The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 3.330±0.002 at 25°C.
- Adsorption and desorption constants:
- Not applicable
- Recovery of test material:
- Not applicable
- Concentration of test substance at end of adsorption equilibration period:
- Not applicable
- Concentration of test substance at end of desorption equilibration period:
- Not applicable
- Transformation products:
- not specified
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.330±0.002 at 25°C.
- Executive summary:
The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The sample of test chemical was prepared by accurately weighing 10.8 mg and diluted with acetonitrile up to 10 mL to obtain the concentration of 400 mg/L. The pH of the resulting solution was found to be 6.4. The solutions of the test chemical and reference substances were prepared in acetonitrile each of the reference substances and test chemical were analysed by HPLC. The column was saturated with solvent (mobile phase) in isocratic mode on chromatographic conditions including the HPLC method, HPLC Model number Agilent Technologies,1260 Infinity II was used. Flow Rate was of 1.0ml/min. Column used was ZORBAX Eclipse Plus C18, 4.6×100 mm, 3.5 µm. Guard columns used was C18. Mobile phase used was Acetonitrile: water with ratio of (55:45). Study was performed at a temperature of 25°C. Diode Array Detector was used. Wavelength taken for study was 210 nm. Autosampler injector was used and the injector volume was 10 μl. Chem Station Open lab Control Panel was used as a data Acquisition software. After 20 min of column saturation with the mobile phase, sequential analysis of urea(for dead time: t0), reference substances and test chemical was performed on HPLC. All the HPLC runs were performed in duplicates. Retention time tR was measured to calculate the capacity factors k' it was then converted in log to obtain log k'. A standard curve between log k versus log Koc was plotted to obtain the value of log Koc of the test chemical. Reference substances 2-Nitrobenzamide, 3,5,Dinitrobenzamide, Phenol, Acetanilide, Naphthalene, and Phenanthrene were chosen. Individual solutions of these six reference substances were prepared in acetonitrile with concentrations of 100 mg/L. Formamide (at concentration of 1000 mg/L) was used as an unretained compound for the determination of the “dead time” t0. Each of the reference substance and test substance were analysed by HPLC at 210 nm. The log Koc value of all six reference substance was determined to be in the range of 0.9 to 3.4. The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.330±0.002 at 25°C. This log Koc value indicates that the test chemical has moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
Reference
Table 1- The below table indicates, six reference substances were selected from OECD guideline 121. Individual reference substances were allowed to pass through the column on fixed operating conditions in order to obtain the values of tR and SD. These values are then used to determine k' which is then converted to log k' value (applying equation no. 1). This log k' was then plotted on the calibration curve to determined log Koc value of each.
Reference substances | tR 1 | tR2 | Mean tR ± S.D. | k' | Log k' | Log Koc |
Formamide | 2.855 | 2.857 | 2.856±0.001 | NA | NA | NA |
2-Nitrobenzamide | 3.054 | 3.053 | 3.054±0.001 | 0.069 | -1.160 | 0.9 |
3,5-Dinitrobenzamide | 3.191 | 3.192 | 3.192±0.001 | 0.117 | -0.930 | 1.5 |
Phenol | 3.196 | 3.196 | 3.196±0.000 | 0.119 | -0.924 | 1.8 |
Acetanilide | 3.214 | 3.215 | 3.215±0.001 | 0.126 | -0.901 | 1.9 |
Naphthalene | 3.905 | 3.905 | 3.905±0.000 | 0.367 | -0.435 | 3.0 |
Phenanthrene | 5.396 | 5.389 | 5.393±0.005 | 0.888 | -0.052 | 3.4 |
Table 2: This table represents the mean log Koc and SD of the test chemical.
Test chemical | k' | Log k' | Log Koc | Mean of Log Koc ± S.D | |
tR 1 | 4.823 | 0.689 | -0.162 | 3.329 | 3.330±0.002 |
tR 2 | 4.828 | 0.690 | -0.161 | 3.332 |
Description of key information
The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.330±0.002 at 25°C.
Key value for chemical safety assessment
- Koc at 20 °C:
- 2 137.962
Additional information
The adsorption coefficient Koc in soil and in sewage sludge of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 121 for testing of Chemicals. The sample of test chemical was prepared by accurately weighing 10.8 mg and diluted with acetonitrile up to 10 mL to obtain the concentration of 400 mg/L. The pH of the resulting solution was found to be 6.4. The solutions of the test chemical and reference substances were prepared in acetonitrile each of the reference substances and test chemical were analysed by HPLC. The column was saturated with solvent (mobile phase) in isocratic mode on chromatographic conditions including the HPLC method, HPLC Model number Agilent Technologies,1260 Infinity II was used. Flow Rate was of 1.0ml/min. Column used was ZORBAX Eclipse Plus C18, 4.6×100 mm, 3.5 µm. Guard columns used was C18. Mobile phase used was Acetonitrile: water with ratio of (55:45). Study was performed at a temperature of 25°C. Diode Array Detector was used. Wavelength taken for study was 210 nm. Autosampler injector was used and the injector volume was 10 μl. Chem Station Open lab Control Panel was used as a data Acquisition software. After 20 min of column saturation with the mobile phase, sequential analysis of urea(for dead time: t0), reference substances and test chemical was performed on HPLC. All the HPLC runs were performed in duplicates. Retention time tR was measured to calculate the capacity factors k' it was then converted in log to obtain log k'. A standard curve between log k versus log Koc was plotted to obtain the value of log Koc of the test chemical. Reference substances 2-Nitrobenzamide, 3,5,Dinitrobenzamide, Phenol, Acetanilide, Naphthalene, and Phenanthrene were chosen. Individual solutions of these six reference substances were prepared in acetonitrile with concentrations of 100 mg/L. Formamide (at concentration of 1000 mg/L) was used as an unretained compound for the determination of the “dead time” t0. Each of the reference substance and test substance were analysed by HPLC at 210 nm. The log Koc value of all six reference substance was determined to be in the range of 0.9 to 3.4. The Adsorption Coefficient of test chemical was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was determined to be 3.330±0.002 at 25°C. This log Koc value indicates that the test chemical has moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
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