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EC number: 205-160-7 | CAS number: 134-85-0
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard test guideline
- 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:
- not specified
- Test temperature:
- 25°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC
- Type: HPLC Model No. : Agilent Technologies,1260 Infinity II
- Type, material and dimension of analytical (guard) column: ZORBAX Eclipse Plus C18, 4.6*100 mm, 3.5 μm
- Detection system: Chem Station Open lab Control Panel at a wavelength of 210 nm
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
-The reference substances were 4-chloroaniline, 4 -methylaniline(p-Tolouidine), N-methylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,Ndimethylbenzamide,N-methylbenzamide, Benzamide having Koc value ranging from 1.239 to 2.47.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10μl
- Quantity of reference substances: 10μl
REPETITIONS
- Number of determinations: Duplicates
EVALUATION:
Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.
Additional information:
The solutions of the test substance and reference substances were prepared in the mobile phase. Each of the reference substance and test substance were analysed by HPLC at 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k were calculated. The graph was plotted between log Koc versus log k(Annex - 2).The linear regression parameter of the relationship log Koc vs log k were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor.
Operating Conditions:
HPLC Model No. : Agilent Technologies,1260 Infinity
Flow Rate : 1.0 mL/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : Acetonitrile: water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Data Acquisition software : ChemStationOpen lab Control Panel
Details on sampling:
- Concentrations: 500 mg/l
- Preparation of Test chemical: A test item solution was prepared by accurately weighing 5 mg of test item and diluted with methanol up to10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 7.05 - Analytical monitoring:
- no
- Details on matrix:
- Not applicable
- Details on test conditions:
- Not applicable
- Key result
- Type:
- log Koc
- Value:
- 3.966 dimensionless
- pH:
- 7.05
- Temp.:
- 25 °C
- Remarks on result:
- other: reported as 3.966 ± 0.013
- Details on results (HPLC method):
- The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined
to be 3.966 ± 0.013 at 25°C. - Transformation products:
- not specified
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was observed to be 3.966 ± 0.013 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. A test item solution was prepared by accurately weighing 5 mg of test item and diluted with methanol up to10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 7.05. Each of the reference substance and test substance were analysed by HPLC at 210 nm. For the HPLC method, HPLC model no. Agilent Technologies,1260 Infinity II was used. Column used was ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm. Acetonitrile: water (55:45) was used as a mobile phase. During the study, flow rate was 1.0ml/min. Study was performed at a temperature of 25°C. Injector volume was 10μl. Chem Station Open lab Control Panel was used as a data Acquisition software and detector wavelength taken for the study was 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k' were calculated. The graph was plotted between log Koc versus log k'. The linear regression parameter of the relationship log Koc vs log k' were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 4-chloroaniline, 4 -methylaniline(p-Tolouidine), N-methylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,Ndimethylbenzamide, N-methylbenzamide, Benzamide having Koc value ranging from 1.239 to 2.47. The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was observed to be 3.966 ± 0.013 at 25°C. This log Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
Reference
Description of key information
The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was observed to be 3.966 ± 0.013 at 25°C
Key value for chemical safety assessment
- Koc at 20 °C:
- 8 000
Additional information
Data available of the structurally similar read across chemicals has been reviewed to determine the adsorption coefficient of the test chemical. The studies are as mentioned below:
The first study of 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. A test item solution was prepared by accurately weighing 5 mg of test item and diluted with methanol up to10 ml.Thus, the test solution concentration was 500 mg/l. The pH of test substance was 7.05. Each of the reference substance and test substance were analysed by HPLC at 210 nm. For the HPLC method, HPLC model no. Agilent Technologies,1260 Infinity II was used. Column used was ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm. Acetonitrile: water (55:45) was used as a mobile phase. During the study, flow rate was 1.0ml/min. Study was performed at a temperature of 25°C. Injector volume was 10μl. Chem Station Open lab Control Panel was used as a data Acquisition software and detector wavelength taken for the study was 210 nm. After equilibration of the HPLC system, Urea was injected first, the reference substances were injected in duplicate, followed by the test chemical solution in duplicate. Reference substances were injected again after test sample, no change in retention time of reference substances was observed. Retention time tR were measured, averaged and the decimal logarithms of the capacity factors k' were calculated. The graph was plotted between log Koc versus log k'. The linear regression parameter of the relationship log Koc vs log k' were also calculated from the data obtained with calibration samples and therewith, log Koc of the test substance was determined from its measured capacity factor. The reference substances were chosen according to estimated Koc range of the test substance and generalized calibration graph was prepared. The reference substances were 4-chloroaniline, 4 -methylaniline(p-Tolouidine), N-methylaniline, 2 - nitrophenol, Nitrobenzene, 4-Nitrobenzamide, N,Ndimethylbenzamide, N-methylbenzamide, Benzamide having Koc value ranging from 1.239 to 2.47. The Adsorption Coefficient of test substance was determined as per the HPLC method (OECD Guideline-121). The Log Koc value was observed to be 3.966 ± 0.013 at 25°C. This log Koc value indicates that the test chemical has a strong sorption to soil and sediment and therefore have negligible to slow migration potential to ground water.
The second study of Soil Adsorption Coefficient i.e. Koc value of test chemical was estimated using EPI suite KOCWIN Program (v2.00) as 1824 L/kg (log Koc= 3.26 ) by means of MCI method at 25 °C. This log Koc value indicates that test chemical has moderate sorption to soil and therefore test chemical has slow migration potential to groundwater.
The third study was carried out using a structure estimation method based on molecular connectivity indices the Koc of test chemical was determined to be 950 (log Koc = 2.97). This log Koc value indicates that test chemical has moderate sorption to soil and therefore test chemical has slow migration potential to groundwater.
The fourth study of adsorption was carried out. The adsorption coefficient Koc value of test chemical was determined to be 1200 dimensionless (log Koc = 3.08 ). This log Koc value indicates that test chemical has moderate sorption to soil and therefore test chemical has slow migration potential to groundwater.
On the basis of the above-mentioned information, the test chemical has strong to moderate sorption to soil and therefore test chemical has slow to negligible migration potential to groundwater.
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