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EC number: 605-708-9 | CAS number: 174125-93-0
- 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:
- 2017-05-11 - 2017-10-19 (experimental phase)
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Remarks:
- Water solubility
- Reason / purpose for cross-reference:
- reference to same study
- Remarks:
- Partition coefficient
- 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:
- EC Guideline C.19. Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC). May 31, 2008
- Deviations:
- no
- 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:
- OECD Guideline 121. Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC). January 22, 2001.
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: EC Technical Guidance Document on Risk Assessment Part III Chapter 4.3: Use of (Quantitative) Structure Activity Relationships ((Q)SARs) - Soil and Sediment Sorption. 2003.
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- other: The dual composition of a cyanopropyl stationary phase, having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as is the case for organic matter in soil or sewage sludge matrices.
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: sponsor
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: In refrigerator (2-8°C) - Radiolabelling:
- no
- Test temperature:
- 35°C
- Details on study design: HPLC method:
- EQUIPMENT
Analytical Conditions
Instrument: Acquity UPLC system (Waters, Milford, MA, USA)
Detector: Acquity UPLC PDA detector (Waters)
Column: Acquity UPLC HSS Cyano, 100 mm * 2.1 mm i.d., dp = 1.8 µm (Waters)
Column temperature: 35°C ± 1°C
Injection volume: 5 µL
UV detection: 210 nm (unretained compound, reference substance and test solution); 254 nm (test solution)
MOBILE PHASES
- Type:
Solvent A: 100% isopropyl alcohol
Solvent B: 100% water
Solvent C: 100% methanol
- Solutes for dissolving test and reference substances:
Solution of the Unretained Compound: A 5 g/L stock solution of formamide (99.2%, [75-12-7], Alfa Aesar, Karlsruhe, Germany) in methanol was used. The stock solution was diluted to obtain an end solution of 55/45 (v/v) methanol/water. The formamide blank solution was 55/45 (v/v) methanol/water.
Reference Substance Solution: Stock solutions of the reference substances at concentrations of approximately 1 g/L in methanol were used. The stock solutions were diluted to obtain an end solution of 55/45 (v/v) methanol/water.
The blank solution for the mixture of reference substances was 55/45 (v/v) methanol/water.
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column
REFERENCE SUBSTANCES
- Identity:
Reference substance Purity CAS number
Acetanilide 99.8% 103-84-4
Monuron 99.9% 150-68-5
2,5-Dichloroaniline 99.9% 95-82-9
Naphthalene 99.5% 91-20-3
Benzoic acid phenylester 99.9% 93-99-2
Fenthion 97.5% 55-38-9
Phenanthrene 98.1% 85-01-8
4,4’-DDT 98.7% 50-29-3
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 5µl of a 100 mg/L solution
REPETITIONS
- Number of determinations: Reference substance and test item solutions were injected in duplicate. Blank solutions were analyzed by single injection.
EVALUATION
- Calculation of capacity factors k': k' = (tr - t0) / t0, where:
tr = retention time
t0 = mean column dead time
- Determination of the log Koc value: Calibration curve: logk' = a * logKoc + b, where:
a = slope
b = intercept - Type:
- log Koc
- Value:
- 4.23 dimensionless
- Temp.:
- 35 °C
- Remarks on result:
- other: Test item – peak 1 (minor constituent)
- Remarks:
- neutral pH
- Type:
- log Koc
- Value:
- 4.28 dimensionless
- Temp.:
- 35 °C
- Remarks on result:
- other: Test item – peak 2 (minor constituent)
- Remarks:
- neutral pH
- Key result
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- Temp.:
- 35 °C
- Remarks on result:
- other: Test item – peak 3 - 13 (major constituent)
- Remarks:
- neutral pH
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see table below
- Average retention data for test substance: see table below - Validity criteria fulfilled:
- yes
- Conclusions:
- The study was performed according to OECD TG 121 under GLP on the substance to be registered itself, the test procedure is well documented and therefore reliability of Klimisch 1 has been assigned. The analytical method was properly established. The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of the test item.
The Koc and log Koc values of the test item at neutral pH were:
Koc log Koc
Test item – peak 1 1.7 x 10E4 4.23
Test item – peak 2 1.9 x 10E4 4.28
Test item – peak 3 - 13 > 4.3 x 10E5 > 5.63 - Executive summary:
The Adsorption coefficient of the test item was determined according to EC C.19 and OECD 121 under GLP via HPLC method based on soil-adsorption-reference data to log Koc: > 5.63 (major component).
Reference
Description of key information
Adsorption coefficient: log Koc > 5.63, Koc > 4.3 x E5 (major component)(EC C.19, OECD 121, GLP, HPLC method)
Key value for chemical safety assessment
- Koc at 20 °C:
- 450 000
Additional information
[LogKoc: 5.65]
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