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EC number: 202-213-6 | CAS number: 93-04-9
- 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
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- 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 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:
- HPLC Procedure (Dead time method)
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 below chromatographic conditions. After 20 min of column saturation with mobile phase, sequential analysis of formamide (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
(mentioned in below equation no. 1), 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 test chemical.
Equation no. 1
K= tR -t0/t0
where
k= capacity factor,
tR= retention time of test substance and reference substance.
t0=retention time of Urea.
Operating Conditions:
HPLC Model No. : Agilent Technologies,1260 Infinity
Data Acquisition software : ChemStationOpen lab Control Panel
Flow Rate : 1.0ml/min
Column : ZORBAX Eclipse Plus C18, 4.6×100mm, 3.5 μm
Mobile phase : ACN : water (55:45)
Temperature : 25°C
Detector : Diode Array Detector @210nm
Injector : Autosampler
Injector volume : 10μl - Analytical monitoring:
- not specified
- Details on sampling:
- - Concentrations: 400 mg/l
- Sampling interval: A test chemical solution was prepared by dissolving 4 mg of test chemical in acetonitrile to prepare 400 mg/L and filtered through 0.22 nm nylon syringe filter. pH of the resulting solution was 5.7. - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 3.28 dimensionless
- pH:
- 5.7
- Temp.:
- 25 °C
- Remarks on result:
- other: logKoc was reported to be 3.280±0.001
- Details on results (HPLC method):
- The Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical was determined to be 3.280±0.001 at 25°C
- 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 3.280±0.001 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 solutions of the test substance and reference substances were prepared in appropriate solvents. A test chemical solution was prepared by dissolving 4 mg of test chemical in acetonitrile to prepare 400 mg/L and filtered through 0.22 nm nylon syringe filter. pH of the resulting solution was 5.7. 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.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 generalize calibration graph was prepared. Both were analyzed on HPLC considering the similar conditions. After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Koc value. The reference substances were Formamide, 2-Nitrobenzamide, p-Toluamide , Aniline, 2 - Nitrophenol , Benzamide and Phenanthrene having Koc value ranging from 1.3 to 3.7. The Log Koc value of test chemical was determined to be 3.280±0.001 dimensionless at 25°C.This log Koc value indicates that the substance has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
Reference
Table: Reference substance result.
Reference Substance |
Tr1 |
Tr2 |
Mean S.D |
K |
Log K |
Log Pow |
Formamide |
0.897 |
0.897 |
0.897±0.000 |
NA |
NA |
NA |
2-Nitrobenzamide |
1.084 |
1.085 |
1.085±0.001 |
0.209 |
-0.679 |
1.3 |
p-Toluamide |
1.156 |
1.156 |
1.156±0.000 |
0.288 |
-0.539 |
1.5 |
Aniline |
1.506 |
1.507 |
1.507±0.001 |
0.679 |
-0.167 |
2.1 |
2 - Nitrophenol |
2.178 |
2.179 |
2.179±0.001 |
1.428 |
0.154 |
2.6 |
Benzamide |
1.07 |
1.07 |
1.070±0.000 |
0.192 |
-0.714 |
1.4 |
Phenanthrene |
11.798 |
11.694 |
11.746±0.074 |
12.094 |
1.08 |
3.7 |
Table: Result of test chemical.
Test substance |
K |
LogK |
Log Koc |
Mean of logKoc ± S.D |
|
Tr1 |
5.610 |
5.254 |
0.721 |
3.279 |
3.280 ± 0.001 |
Tr2 |
5.617 |
5.262 |
0.721 |
3.280 |
This table represents the mean log Koc and SD of test chemical.
Description of key 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 (Experimental study report, 2019). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test chemical solution was prepared by dissolving 4 mg of test chemical in acetonitrile to prepare 400 mg/L and filtered through 0.22 nm nylon syringe filter. pH of the resulting solution was 5.7. 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.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 generalize calibration graph was prepared. Both were analyzed on HPLC considering the similar conditions. After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Koc value. The reference substances were Formamide, 2-Nitrobenzamide, p-Toluamide , Aniline, 2 - Nitrophenol , Benzamide and Phenanthrene having Koc value ranging from 1.3 to 3.7. The Log Koc value of test chemical was determined to be 3.280±0.001 dimensionless at 25°C.This log Koc value indicates that the substance has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 905.46
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 (Experimental study report, 2019). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test chemical solution was prepared by dissolving 4 mg of test chemical in acetonitrile to prepare 400 mg/L and filtered through 0.22 nm nylon syringe filter. pH of the resulting solution was 5.7. 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.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 generalize calibration graph was prepared. Both were analyzed on HPLC considering the similar conditions. After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Koc value. The reference substances were Formamide, 2-Nitrobenzamide, p-Toluamide , Aniline, 2 - Nitrophenol , Benzamide and Phenanthrene having Koc value ranging from 1.3 to 3.7. The Log Koc value of test chemical was determined to be 3.280±0.001 dimensionless at 25°C.This log Koc value indicates that the substance has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
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