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Reaction mass of bis(polysubstituted hexanoic acid) bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) diphosphate and bis(polysubstituted hexanoic acid) 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl phosphate and polysubstituted hexanoic acid bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen diphosphate and polysubstituted hexanoic acid bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) phosphate and polysubstituted hexanoic acid 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl hydrogen phosphate
EC number: - | CAS number: -
- 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:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
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))
- Deviations:
- no
- Remarks:
- The study was conducted according to the guideline in effect at the time of study conduct.
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- TLF-11073
- IUPAC Name:
- TLF-11073
- Details on test material:
- - Purity: 22.82% solids in water
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- Column Temperature: 27 - 28 °C
HPLC method
- Details on study design: HPLC method:
- In each experiment six chemicals for which log Koc has been reported were used to calibrate the elution time in units of log Koc. Structurally heterogeneous reference items were chosen from the list stated in the guideline. The reference standards used included acetanilide, benzamide, atrazine, 1,2,3-trichlorobenzene, pyazophos, phenanthrene, DDT, and sodium nitrate. A solution of sodium nitrate was injected for determination of the dead time.
Each reference compound was dissolved in methanol (except sodium nitrate, which was dissolved in pure water) to prepare stock solutions of each. Calculated volumes of these stock solutions were diluted with methanol/pure water (1:1, v/v) to prepare 10 mg/L standard solutions of these compounds. Afterwards, defined volumes of each of the stock solutions were diluted with methanol/pure water (1:1, v/v) to prepare the reference item mix for the HPLC-measurements.
The test substance solution was prepared by dissolving the test substance in methanol/pure water (1:1, v/v) to obtain a solution of approximately 40 g test substance/L. The test solution with a concentration of approximately 40 g test item/L was used for the HPLC-measurements.
The reference items were injected separately and mixed. Their retention times were determined, permitting the calculation of the capacity factor k'. The reference item mix was injected before and after the test item. The test item was injected three times. For the determination of t0 (t0 = retention time of the unretarded component) sodium nitrate solution was also injected three times. The calibration curve was based on the retention time of reference items injected as a mixture, since it was confirmed that the retention of each reference substance was unaffected by the presence of the other reference substances.
The following instrument conditions were used:
Column: LiChrospher 100 CN (250 × 4 mm, 5 μm)
Mobile Phase: 55% methanol/ 45% 0.01 M citrate buffer solution at pH 6
Flow Rate: 0.5 mL/min
Detector: DAD Detector
Detection Wave Length: 200 to 400 nm (evaluation at 230 nm and 210 nm)
Temperature: 27 - 28°C
Injection Volume: 50 μL
The adsorption coefficient Koc wass deduced from the capacity factor k' using a calibration plot of log k' versus log Koc of selected reference items. The capacity factor was calculated from the retention of the substance concerned (tr) and the unretarded component (t0) using the following equation: k’ =(tr – t0)/t0
where:
tr = retention time of the test item [min]
t0 = time a non-sorbed chemical needs to pass the column (dead time) [min]
k' = capacity factor
The adsorption coefficient Koc of the test item was interpolated or extrapolated from the calibration curve which was established by correction of the log Koc of various reference items with their corresponding log k'-values. The correlation was performed using the function given below, obtained by regression analysis.
The log k'-value of the test item was compared with the log k'-values of the reference items with known log Koc values. Therefore the log Koc value x of the test item was calculated by the following equation:
y = m * x + b
where
y = log k'- k'
x = log Koc-value of the test item
m = slope
b = y-axis intercept
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- -3.8
- Temp.:
- 27 °C
- Remarks on result:
- other: The test substance was resolved into three substance-related peaks by HPLC therefore a range of three log Koc values were determined.
- Type:
- log Koc
- Value:
- 5.5
- Temp.:
- 27 °C
- Type:
- log Koc
- Value:
- 7.2
- Temp.:
- 27 °C
Results: HPLC method
- Details on results (HPLC method):
- The test item was resolved into three substance-related peaks by HPLC therefore a range of three log Koc values were determined.
The logarithmic adsorption coefficients (log Koc) of the test item were estimated to be -3.8 (extrapolated), 5.5 and 7.2 (extrapolated) using the HPLC method at 27 - 28°C.
The linearity of the method was proved in the log Koc-range from 1.25 to 5.63.
Calibration Curve: y = 0.0912 * x - 0.2454, Regression Coefficient r² = 0.9484
Although reference substances were not available for the individual components contained in the test substance, it was anticipated that the lowest measured Koc can be attributed to lysine because it would not be retained by the column and the two higher Koc values can be attributed to phosphate esters of the fluorinated alcohols.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- log Koc estimated to be -3.8 (extrapolated), 5.5 and 7.2 (extrapolated).
- Executive summary:
The adsorption coefficient (Koc) of the test substance was determined using the HPLC method and UV detection. The test substance was resolved into three substance-related peaks by HPLC, therefore a range of three log Koc values were determined. The logarithmic adsorption coefficients (log Koc) of the test substance were estimated to be -3.8 (extrapolated), 5.5 and 7.2 (extrapolated) using the HPLC method at 27 - 28°C.
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