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EC number: 214-881-6 | CAS number: 1205-17-0
- 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:
- 13 September 2012 to 12 December 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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
- 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))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Radiolabelling:
- no
- Details on study design: HPLC method:
- As the test material was considered to not contain any test relevant dissociation constants, testing was carried out at approximately neutral pH with the test material in a non-ionised state.
EQUIPMENT
- Apparatus: Agilent Technologies 1100, incorporating autosampler and workstation
- Type: HPLC System (commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties)
- Column: XSelect HSS CYANO 5 μm (150 x 4.6 mm id)
- Column temperature: 30 °C
- Flow-rate: 1.0 mL/min
- Injection volume: 10 μL
- Detection system: UV detector; wavelength (dead time and reference standards) 210 nm and (sample) 288 nm
MOBILE PHASES
- Type: Methanol:purified water (55:45 v/v)
- pH: 5.7
- Solutes for dissolving test and reference substances: The test material was diluted to 100 mL with methanol. Solutions of the reference materials were prepared in methanol.
DETERMINATION OF DEAD TIME
- Method: The dead time was determined by measuring the retention time of formamide [purity: 99.94 %, 666 mg/L solution in methanol:purified water (55:45 v/v)].
REFERENCE SUBSTANCES
- Identity: Phenol, atrazine, isoproturon, triadimenol, linuron, naphthalene, endosulfan-diol, fenthion, α-endosulfan, phenanthrene. diclofop-methyl and DDT.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 0.1046 g
- Quantity of reference substances (mg/L): Phenol 114, atrazine 105, isoproturon 100, triadimenol 133, linuron 98, naphthalene 129, endosulfan-diol 116, fenthion 146, α-endosulfan 132, phenanthrene 134. diclofop-methyl 124 and DDT 157.
REPETITIONS
- Number of determinations: The sample, dead time and reference standard solutions were injected in duplicate.
EVALUATION
- Calculation of capacity factors k': The capacity factors (k') for the reference standards were calculated using the following equation:
k' = (tr –t0) / t0
where:
k' = capacity factor
tr = retention time (min)
t0 = dead time (min)
A correlation of log k' versus log Koc of the calibration standards was plotted using linear regression.
- Calculation of retention times: A calibration curve was constructed from the retention time data of the dead time and reference standard solutions.
- Determination of the log Koc value: The adsorption coefficient was calculated using the following equation:
Log10 Koc = (Log10k' – A) / B
where:
Koc= adsorption coefficient
k' = capacity factor
A = intercept of the calibration curve
B = slope of the calibration curve - Key result
- Type:
- Koc
- Value:
- 71.3
- Key result
- Type:
- log Koc
- Value:
- 1.85
- Details on results (HPLC method):
- The mobility classification of the test material was obtained by comparing the calculated Koc value to the mobility classes according to McCall et al. 1981 as follows:
Range of Koc: 0 – 50: very high mobility; 50 – 150: high mobility; 150 – 500: medium mobility; 500 – 2000: low mobility; 2000 – 5000: slightly mobile; and > 5000: immobile.
The adsorption coefficient (Koc) of the test material was determined to be 71.3 (log10 Koc 1.85). This would indicate that the environmental mobility of the test material is high.
As the slope of the calibration curve for the reference standards showed good first order correlation and as the retention times between duplicate injections for each solution were consistent, the HPLC method was considered valid for the determination of adsorption coefficient. Based on the chromatographic data, the test material was considered to be stable during the test procedure. - Validity criteria fulfilled:
- yes
- Conclusions:
- Under the conditions of this study, the adsorption coefficient (Koc) of the test material was determined to be 71.3, log10 Koc 1.85.
- Executive summary:
The adsorption coefficient (Koc) of the test material was investigated using the HPLC screening method in accordance with the standardised guidelines EU Method C.19 and OECD 121 under GLP conditions.
The test utilised a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used. As the test material was considered to not contain any test relevant dissociation constants, testing was carried out at approximately neutral pH with the test material in a non-ionised state.
To prepare the sample for the test, 0.1046 g of test material was diluted to 100 mL with methanol. The dead time was determined by measuring the retention time of formamide and solutions of appropriate reference standards were prepared in methanol. The sample, dead time and reference standard solutions were then injected in duplicate.
A calibration curve was constructed from the retention time data of the dead time and reference standard solutions and the capacity factors (k') for the reference standards were calculated. The capacity factor and adsorption coefficient of the test material were then determined.
As the slope of the calibration curve for the reference standards showed good first order correlation and as the retention times between duplicate injections for each solution were consistent, the HPLC method was considered valid for the determination of adsorption coefficient. Based on the chromatographic data, the test material was considered to be stable during the test procedure.
Under the conditions of this study, the adsorption coefficient (Koc) of the test material was determined to be 71.3, log10 Koc 1.85. This would indicate that the environmental mobility of the test material is high.
Reference
Table 1: Adsorption Coefficient of the Sample
Injection |
Retention Time (mins) |
Capacity Factor (k') |
Log10k' |
Log10Koc |
Mean Log10Koc |
Adsorption Coefficient |
1 |
3.712 |
3.710 |
0.981 |
-0.009 |
1.853 |
71.3 |
2 |
3.707 |
Description of key information
The adsorption coefficient (Koc) of the test material was determined to be 71.3, logKoc 1.85.
Key value for chemical safety assessment
- Koc at 20 °C:
- 71.3
Additional information
The adsorption coefficient (Koc) of the test material was investigated using the HPLC screening method in accordance with the standardised guidelines EU Method C.19 and OECD 121 under GLP conditions. The study was assigned a reliability score of 1 in accordance with the criteria for assessing data quality set forth by Klimisch et al. (1997).
The test utilised a high performance liquid chromatograph. A commercially available cyanopropyl reverse phase HPLC column containing lipophilic and polar moieties was used. As the test material was considered to not contain any test relevant dissociation constants, testing was carried out at approximately neutral pH with the test material in a non-ionised state.
To prepare the sample for the test, 0.1046 g of test material was diluted to 100 mL with methanol. The dead time was determined by measuring the retention time of formamide and solutions of appropriate reference standards were prepared in methanol. The sample, dead time and reference standard solutions were then injected in duplicate.
A calibration curve was constructed from the retention time data of the dead time and reference standard solutions and the capacity factors (k') for the reference standards were calculated. The capacity factor and adsorption coefficient of the test material were then determined.
As the slope of the calibration curve for the reference standards showed good first order correlation and as the retention times between duplicate injections for each solution were consistent, the HPLC method was considered valid for the determination of adsorption coefficient. Based on the chromatographic data, the test material was considered to be stable during the test procedure.
Under the conditions of this study, the adsorption coefficient (Koc) of the test material was determined to be 71.3, logKoc 1.85. This would indicate that the environmental mobility of the test material is high.
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