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EC number: 950-627-7 | CAS number: 1042950-30-0
- 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
- Study period:
- November 30, 2020 - March 29, 2021
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))
- Version / remarks:
- 2008
- 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))
- Version / remarks:
- 2001
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source (i.e. manufacturer or supplier) and lot/batch number of test material: Source: Sponsor; Batch No. 10/16/2019
- Purity, including information on contaminants, isomers, etc.: 98.2%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 18 – 25 °C, dark, in the tightly closed original container - Test temperature:
- 20 - 25 ± 1 °C (column Temperature)
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Analytical HPLC-column packed with a cyanopropyl stationary phase and coupled to a diode array detector (DAD) and a mass spectrometer (MS). - Type: Cyanopropyl analytical column
- Type, material and dimension of analytical (guard) column: YMC-Pack Cyano, S-5 μm / 12nm / 250 x 4.0 mm, batch 13303, YMC EUROPE GMBH
- Detection system: DAD and MS/MS
- Injection volume 10 μL
- Flow rate 0.7 mL/min
MOBILE PHASES
- Type: Methanol: ultrapure water (55 : 45 v/v) containing 0.1 mol/L ammonium formate
- Experiments with additives carried out on separate columns: yes / no
- pH: PH values of 5.5 and 7.5, respectively, adjusted with formic acid and ammonia
- Reagents: Ammonium formate, for mass spectroscopy; Ammonium hydroxide, 25% (w/w) for analysis, Formic acid, ≥98%; Methanol, gradient grade; Purified water, ≤ 50 ppb TOC, ≥ 18.2 Mꭥ cm, in-house device
DETERMINATION OF DEAD TIME
- Method: reference substances: NaNO3, CAS 7631-99-4; Uracil, CAS 66-22-8
REFERENCE SUBSTANCES
System Suitability, Identity: 3-Nitrobenzamide, CAS 645-09-0; Endosulfan-diol (Endosulfan Alcohol), CAS 2157-19-9
Reference Items for Adsorption Coefficient on Soil and Sewage Sludge, Identity: Acetanilide, CAS 103-84-4; Atrazine; CAS 1912-24-9; Aniline; CAS 62-53-3; Linuron, CAS 330-55-2; Phenyl benzoate, CAS 93-99-2; Fenthion, CAS 55-38-9; Phenanthrene, CAS 85-01-8
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 100 μg/L
- Quantity of reference substances: 20 mg/L for Endosulfan-diol, 10 mg/L for the others
- Intervals of calibration:
REPETITIONS
- Number of determinations: Single (three Injections)
EVALUATION
- Calculation of capacity factors k':
- Calculation of retention times:
- Determination of the log Koc value - Analytical monitoring:
- yes
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- 3
- pH:
- 5.5
- Temp.:
- 21.5
- Matrix:
- sewage sludge
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- 2.8
- pH:
- 5.5
- Temp.:
- 21.5
- Matrix:
- soil
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see background information
- Details of fitted regression line (log k' vs. log Koc): see background information
- Graph of regression line attached:see background information
- Average retention data for test substance: see background information - Adsorption and desorption constants:
- Two individual log KOC values were derived under consideration of the first and second calibration
for the test item signal. Finally, a mean value was calculated from these individual log KOC value
for soil and for sewage sludge see Tab.1 - Conclusions:
- The adsorption coefficient (KOC) for the test item on soil and on sewage sludge using high performance liquid chromatography (HPLC) was estimated at pH 5.5 according to OECD 121 (2001) and Council Regulation (EC) No. 440/2008, Method C.19 from 2020-12-09 to 2021-02-02.
Calibrations were performed using seven reference items with known log KOC values (given by the guidelines). The reference items were measured twice, once before and once after the measurement (double injection of one replicate) of the test item (three injections of one replicate) and were detected by DAD. The test item was detected by MS. Sodium nitrate was used for the determination of the void time of the HPLC system coupled to DAD. Uracil was detected by DAD as well as by MS to derive the retention time shift between DAD and MS.
The study was conducted at two different pH values, 5.5 and 7.5, as preliminary studies revealed a different retention behavior of the test item at neutral and slightly acidic conditions. At pH 7.5, the log KOC could not be determined because the test item is not eluted from the stationary phase (cyanopropyl analytical column). The test system is therefore considered as not suitable at this pH value.
The adsorption coefficients (log KOC) of the test item were determined at a mean value of 21.5 °C and pH 5.5 to be 2.8 for soil as well as 3.0 for sewage sludge
Reference
Tab.1 Retentions times, Capacity Factors and Adsorption Coefficient of the Test Item, pH 5.5
| tR*[min] | k’ | log k’ | log KOC, soil ± SD 95%CI 1st Calibration | log KOC, soil ± SD 95%CI 2nd Calibration | log KOC, sewage sludge ± SD 95%CI 1st Calibration | log KOC, sewage sludge ± SD 95%CI 2nd Calibration |
Test Item | 5.259 | 0.776 | -0.110 | 2.806 ± 0.1669 2.377 to 3.235 | 2.806 ± 0.1666 2.378 to 3.235 | 2.957 ± 0.1644 2.534 to 3.379 | 2.957 ± 0.1644 2.535 to 3.380 |
5.340 | 0.803 | -0.095 | |||||
5.340 | 0.803 | -0.095 | |||||
Mean | 5.313 | 0.794 | -0.100 |
|
|
*) = corrected tR = measured retention time – retention time shift
Description of key information
The adsorption coefficients (log KOC) of the test item were determined at a mean value of 21.5 °C and pH 5.5 to be 2.8 for soil as well as 3.0 for sewage sludge
Key value for chemical safety assessment
- Koc at 20 °C:
- 631
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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