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EC number: 941-634-6 | CAS number: 1228284-78-3
- 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:
- 30 June 2015 to 01 September 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
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:
- 2001
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- methoxy[1-(2,4,6-trichlorophenyl)propan-2-yl]amine
- EC Number:
- 941-634-6
- Cas Number:
- 1228284-78-3
- Molecular formula:
- C10H12Cl3NO
- IUPAC Name:
- methoxy[1-(2,4,6-trichlorophenyl)propan-2-yl]amine
- Test material form:
- other: liquid
- Details on test material:
- - Physical state: Brown liquid
- Expiration date of the lot/batch: Recertification date end May 2017
- Storage condition of test material: Room temperature (<30°C), protected from light and humidity
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- 40°C
HPLC method
- Details on study design: HPLC method:
- In general, the same process was used for the confirmatory run using methanol:water (50:50, v:v) as with the main run with methanol:buffer pH 7 but there were some differences which are explained below.
For the confirmatory run using methanol:water (50:50, v:v), a 100 µg/mL test item solution of CA5204A was prepared in methanol:water (50:50, v:v) as follows: 127.2 µL of 1179 µg/mL CA5204A methanol stock solution were mixed with 1372.8 µL methanol:water solution (50:50, v:v). Ten individual 100 µg/mL reference compounds solutions in methanol:water (50:50, v:v) were prepared as stated in 3.2.1.3 but using methanol:water (50:50, v:v) rather than methanol:buffer pH 7 (50:50, v:v). Methanol: water (50:50, v:v) was used as mobile phase instead of methanol:buffer pH 7. The analysis of samples was performed as described for methanol:buffer pH7 in the following section.
Reference compounds were injected separately. Two injections (20 µL) of each reference compound were performed employing the conditions described above. All the reference compounds were injected before (injection A) and after (injection B) the test items to confirm that retention times had not drifted. For the calculation of log k’, the mean value of the resulting two retention times for each reference compound was used.
The following conditions were established using a Thermo Scientific Dionex HPLC equipped with an UV detector:
Pump Thermo Scientific LPG-3400 SD
UV detector Thermo Scientific DiodeArrayDetector Ultimate3000
Autosampler Thermo Scientific WPS 3000 SL
Column oven Thermo Scientific TCC-3000 SD
Analytical column Luna CN 100 Å, 150 x 4.6 mm, 5 µm, Phenomenex
Guard column Standard CN, 4 x 3.0 mm, Phenomenex
UV detector wavelength 220 nm
Flow rate 0.5 ml/min
Temperature 40 oC
Mode of chromatography isocratic
Mobile phase methanol : 0.05 M
potassium hydrogen phosphate buffer pH 7 (50:50, v:v)
Injection volume 20 µL
Data handling Chromeleon 6.80
Results and discussion
Adsorption coefficient
- Type:
- log Koc
- Remarks:
- mean value for two samples
- Value:
- 3.59 dimensionless
- Temp.:
- 40 °C
Results: HPLC method
- Details on results (HPLC method):
- A prominent peak was observed for CA5204A which elutes at 9.9 minutes (UV-detection).
A coefficient of determination r2 (using the reference compounds only) of 0.9156 was obtained from the correlation graph between log k’ and log KOC of the reference compounds.
The adsorption coefficient of CA5204A was determined to be as follows:
Log10 KOC = 3.59 The Koc-value of CA5204A was therefore determined to be as follows:
KOC = 10^3.59 = 3890
A confirmatory run using methanol:water (50:50, v:v) as mobile phase was also carried out and details are presented in Appendix 3.
The result of the methanol:buffer pH 7 run stated above is in good accordance with the confirmatory run results using methanol:water (50:50, v:v) where Log10 KOC value of 3.54 and a corresponding KOC value 3467 (10^3.54 = 3467) were observed.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption coefficients of CA5204A were estimated to be as follows:
Log10 KOC of CA5204A = 3.59
KOC of CA5204A = 3890 - Executive summary:
The adsorption coefficients of CA5204A was estimated according to the OECD Guideline for Testing of Chemicals, 121, Estimation of the Adsorption Coefficient (KOC) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC), January 2001.
The test item was chromatographed on a cyanopropyl solid phase HPLC column concurrently with 7 reference compounds of known adsorption coefficient values. UVdetection was performed.
Following chromatography using methanol:buffer pH 7 (50:50, v:v) as mobile phase, a correlation graph was produced by plotting the Log k’ value versus the Log10 KOC value for each compound. Literature Log10 KOC values were obtained from OECD Guideline 121.
Log10 KOC values for the test items were then extrapolated from the correlation graph.
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