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EC number: 270-821-9 | CAS number: 68478-46-6
- 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
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 06.02.2019 to 21.05.2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
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))
- Version / remarks:
- adopted 2001-01-22)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- Boron, (benzenemethanamine)trifluoro-, (T-4)-, reaction products with Bu glycidyl ether
- EC Number:
- 270-821-9
- EC Name:
- Boron, (benzenemethanamine)trifluoro-, (T-4)-, reaction products with Bu glycidyl ether
- Cas Number:
- 68478-46-6
- Molecular formula:
- C14H23BF3NO2
- IUPAC Name:
- 1-phenylmethanamine; 7-[(benzylamino)methyl]-10-(butoxymethyl)-5,8,11,15-tetraoxaicosan-13-ol; benzyl(3-butoxy-2-hydroxypropyl)amine; benzyl[3-butoxy-2-(3-butoxy-2-hydroxypropoxy)propyl]amine; dibenzyl(3-butoxy-2-hydroxypropyl)amine
- Test material form:
- liquid: viscous
- Details on test material:
- Boron, (benzenemethanamine)trifluoro-, (T-4)-, reaction products with Bu glycidyl ether, Batch: NC18201915
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- 20 - 25 °C ± 1 °C
HPLC method
- Details on study design: HPLC method:
- TEST SYSTEM
Analytical HPLC-column packed with a cyanopropyl stationary phase and coupled to a diode array detector (DAD)
- Reasons for the selection:
The selection of the test system is based on the guidelines. The HPLC method is a useful method for the estimation of the adsorption coefficient Koc. The Koc indicates the binding capacity of the test item on soil or sewage sludge and allows comparing the adsorption behaviour of different chemicals by them.
HPLC AGILENT 1100 consisting of:
Auto sampler G1329A
Auto sampler thermostat G13308
Pump G1312A
Degasser G1322A
Column oven G1316A
Detector G13158
Software Openlab 2.2, AGILENT TECHNOLOGIES
- HPLC-Column:
YMC-Pack Cyano, S-5 μm / 12nm / 250 x 4.0 mm, batch 11761, YMC EUROPE GMBH
- Injection volume: 20 μL
- Flow rate: 1.0 ml/min
- Mobile phase: Methanol : water (90 : 10) for the definitive test and (55 : 45) for the system suitability
- Reagents: Methanol, > 99.9%, MERCK; Purified water
- Additional equipment:
Analytical balances, SARTORIUS
Data logger/thermometer 175-T3 with temperature sensor, TESTO
Milli-Q Advantage A 10, MERCK
Positive displacement pipettes, THERMO-SCIENTIFIC
Piston stroke pipettes, GILSON MEDICAL
Top pan balance, KERN
Laboratory glassware
- Column temperature: 20 - 25 ± 1 °C
- Temperature monitoring: Data logger using 2 minutes interval
- System suitability:
As a guidance, the following capacity factors k' should be reached: log k' > 0 for log Koc = 3.02 (Endosulfan-diol) and log k' > -0.4 for log Koc = 1.95 (3-Nitrobenzamide). The HPLC-system mentioned above was used.
- Test Item; Boron, (benzenemethanamine )trifluoro-,(t-4 )-, reaction products with bu glycidyl ether
- Stock solution: 1 g/L in methanol
- Test concentration: 900 mg/L
- Dilution: With water to mobile phase ratio
- Replicates: Single (three injections)
- Reference Items: Sodium nitrate was used for determination of the void time. Reference items: Acetanilide, 4-Nitrobenzamide, Monuron, 2,5-Dichloraniline, Linuron, Phenanthrene, 4,4'-DDT
- Stock solution/ test concentration:
A stock solution for each reference item with a concentration of nominal 100 mg/L was prepared in methanol. A stock solution of sodium nitrate with a concentration of nominal 100 mg/L was prepared in water.
- Dilution:
The stock solutions were diluted individually with methanol and water to the mobile phase ratio to concentrations of nominal 10 mg/L (20 mg/L for endosulfan-diol).
- Injections:
NaNO3: three injections
Reference items: duplicate injections, one injection before and one after the test item injections
- Type and Frequency of Measurement:
Analyses of the test item was carried out by HP LC-DAD with a cyanopropyl analytical column. The test item and the reference items were diluted to mobile phase ratio and injected into the H PLC system, where the items interacted with the stationary phase while passing through the column. The column temperature was monitored with a data logger during the test using 2 minutes interval.
EVALUATION:
- Calculation capacity factor:
Calibration of the method was done by determination of the retention times tR of the reference items (minimum of six items). Each reference item was analysed separately once before and after the test item.
The retention time was described by the capacity factor k' given by the expression:
k'= (tR-t0)/t0
k': capacity factor, tR: retention time, to: void time
- Calculation log Koc:
By linear regression of the log Koc of the reference items against the log k' of the reference items, the equation for two calibration graphs was obtained. Two individual adsorption coefficients for the test item were
calculated by experimentally determining its capacity factor k' and inserting k' into the following equation (2) obtained from the first and second calibration graph:
log Koc = a • log k + b
a: slope of the calibration graph
b: y-intercept of calibration graph
Finally, a mean value was calculated from these individual log Koc values.
- Software:
The data presented in the tables were computer-generated and rounded for presentation. Thus, manual calculation of results based on the data in this report may yield minor deviations from these figures.
Calculations were carried out using the software:
• Microsoft® Office Excel, MICROSOFT CORPORATION
• GraphPadPrism, GRAPHPAD SOFTWARE, INC
-
- Notification:
Due to the test item properties and according to the results of the non GLP preliminary test, the values of the test item had to be extrapolated using the calibration data.
Batch equilibrium or other method
- Analytical monitoring:
- yes
Results and discussion
Adsorption coefficientopen allclose all
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- ca. 67.23 dimensionless
- Temp.:
- 23 °C
- Matrix:
- sewage sludge
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- ca. 76.95 dimensionless
- Temp.:
- 23 °C
- Matrix:
- soil
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- ca. 49.73 dimensionless
- Temp.:
- 23 °C
- Matrix:
- sewage sludge
- Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- ca. 56.89 dimensionless
- Temp.:
- 23 °C
- Matrix:
- soil
Any other information on results incl. tables
1
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficients (Koc) of the two test item signals were determined at 23.0 °c to be
56.89 and 76.95 for soil as well as 49. 73 and 67.23 for sewage sludge, respectively. The values
were extrapolated.
The determined values are not plausible in any kind and are indicating that the determination of
the adsorption coefficient acc. to the guideline OECD 121 is not feasible. It can be assumed,
that the adsorption coefficient is above that of the highest of the used reference items
(log Koc, soil > 5.63; log Koc, sewage sludge > 4.35). - Executive summary:
The adsorption coefficients (Koc) of the two test item signals were determined at 23.0 °c to be
56.89 and 76.95 for soil as well as 49. 73 and 67.23 for sewage sludge, respectively. The values
were extrapolated.
The determined values are not plausible in any kind and are indicating that the determination of
the adsorption coefficient acc. to the guideline OECD 121 is not feasible. It can be assumed,
that the adsorption coefficient is above that of the highest of the used reference items
(log Koc, soil > 5.63; log Koc, sewage sludge > 4.35).
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