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EC number: 202-262-3 | CAS number: 93-61-8
- 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
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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))
- Principles of method if other than guideline:
- To determine Adsorption coefficient (KOC) on soil and on sewage sludge of the test chemical using 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:
- HPLC Procedure:
The solutions of the test substance and reference substances were prepared in solvent mentioned in 4.3. 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(table 3).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 : 1.0ml/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
Data Acquisition software : ChemStationOpen lab Control Panel - Analytical monitoring:
- not specified
- Details on sampling:
- - Concentrations: 438 mg/l
- Sampling interval: A test item solution was prepared by accurate pipetting of 4 microliter of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 438 mg/l (according to density) The pH of test substance was 4.7. - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 1.761 dimensionless
- pH:
- 4.7
- Temp.:
- 25 °C
- Remarks on result:
- other: LogKoc was reported to be 1.761 ± 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 1.761 ± 0.002 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 1.761 ± 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 solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurate pipetting of 4 microliter of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 438 mg/l (according to density) The pH of test substance was 4.7. 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(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. The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were 4 -chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, Nmethylbenzamide Benzamide having Koc value ranging from 1.239 to 2.35.
The Log Koc value of test chemical was determined to be 1.761 ± 0.002 at 25°C. This log Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Reference
Table 1:
Reference substance |
Log Koc |
Rt1 |
Rt2 |
Rt3 |
Mean Rt ± S.D. |
k |
Log k
|
Urea |
NA |
0.968 |
0.968 |
NA |
0.968±0.000 |
0 |
0 |
4-chloroaniline |
1.96 |
2.572 |
2.57 |
NA |
2.571±0.001 |
1.656 |
0.2191 |
4-methylaniline(p-Tolouidine) |
1.9 |
2.156 |
2.157 |
NA |
2.1565±0.001 |
1.227 |
0.0888 |
N-methylaniline |
2.28 |
2.725 |
2.733 |
NA |
2.729±0.006 |
1.819 |
0.2598 |
Nitrobenzene |
2.35 |
3.117 |
3.121 |
NA |
3.119±0.003 |
2.222 |
0.3467 |
4-Nitrobenzamide |
1.43 |
1.519 |
1.519 |
NA |
1.519±0.000 |
0.569 |
-0.2449 |
N,Ndimethylbenzamide |
1.52 |
1.717 |
1.719 |
NA |
1.718±0.001 |
0.774 |
-0.1113 |
N-methylbenzamide |
1.3 |
1.472 |
1.47 |
NA |
1.471±0.001 |
0.519 |
-0.2848 |
Benzamide |
1.239 |
1.333 |
1.334 |
NA |
1.3335±0.001 |
0.3775 |
-0.4231 |
Table 2
Test substance |
K |
LogK |
Log Koc by Generalized Calibration Graph |
Mean of Log Koc ± S.D. |
|
tR1 |
1.913 |
0.976 |
-0.010 |
1.759 |
1.761±0.002 |
tR |
1.917 |
0.980 |
-0.009 |
1.762 |
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, 2017). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurate pipetting of 4 microliter of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 438 mg/l (according to density) The pH of test substance was 4.7. 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(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. The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were 4 -chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, Nmethylbenzamide Benzamide having Koc value ranging from 1.239 to 2.35. The Log Koc value of test chemical was determined to be 1.761 ± 0.002 at 25°C. This log Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Key value for chemical safety assessment
- Koc at 20 °C:
- 57.676
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, 2017). The solutions of the test substance and reference substances were prepared in appropriate solvents. A test item solution was prepared by accurate pipetting of 4 microliter of test item and diluted with methanol up to 10 ml. Thus, the test solution concentration was 438 mg/l (according to density) The pH of test substance was 4.7. 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(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. The reference substances were chosen according to functional similarity with the test substance and calibration graph prepared. The reference substances were 4 -chloroaniline, 4-methylaniline(p-Tolouidine), N-methylaniline, Nitrobenzene, 4-Nitrobenzamide, N,N-dimethylbenzamide, Nmethylbenzamide Benzamide having Koc value ranging from 1.239 to 2.35. The Log Koc value of test chemical was determined to be 1.761 ± 0.002 at 25°C. This log Koc value indicates that the test chemical has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
[LogKoc: 1.761]
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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