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EC number: 480-060-6 | CAS number: 24065-33-6
- 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
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 8 Feb - 26 Feb 2007
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Determined Koc value for the test substance at pH 6 (0.6) does not exactly meet the range of application of the test guideline (1.5-5.0). However, as the measurement uncertainty was ± 0.5 log units, the value is considered valid. For the test at pH 6 no reference substance with a Koc value above the value for the test substance was available. For this reason result was extrapolated.
- Qualifier:
- equivalent or similar 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
- Media:
- soil/sewage sludge
- Radiolabelling:
- no
- Test temperature:
- The column temperature was 40°C, however, this temperature is without influence on the results of the determination. The calibration was done refering to Koc-values of reference substances determined at 25°C.
- Details on study design: HPLC method:
- EQUIPMENT
- Type, material and dimension of analytical (guard) column: LiChrospher 100 CN particle diameter 5 µm, length 250 mm, inner diameter 4mm
- Column temperature: 40°C
- Detection system: DAD, 220 nm
MOBILE PHASES
- Test pH 2: A, 250 mL buffer solution pH2* + 125 mL water demin. *Buffer solution pH 2: Riedel de haen, Art. No 33541
- Test pH 6: A, 165 mL buffer solution pH 6* + 832 mL water demin. *Buffer solution pH 6: Riedel de Haen, Art. No 33545; B, acetonitrile
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column (3 determinations), the mean value of the deadtime with sodium nitrate was 2.970 min (pH2) and 2.613 min (pH6)
REFERENCE SUBSTANCES
- Identity: Sodium nitrate, 2-Nitrobenzamide, 3-Nitrobenzamide, 3,5-Dinitrobenzamide, Triazoxid, Naphthalene, 1,2,3-Trichlorobenzene, 5-Chlorothiophen-2carboxylic acid
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 5 µL injection volume (test concentration 0.16 mg/mL)
- Quantity of reference substances: 5 µL injection volume (test concentration 0.3 to 0.32 mg/mL)
REPETITIONS
- Number of determinations: 3
EVALUATION
- Calculation of capacity factors k': k'= tR-t0/t0
- Calculation of retention times: retention time was measured
- Determination of the log Koc value: from linear regression curve of the reference substances - Details on test conditions:
- TEST CONDITIONS
- Buffer:
pH 2 Buffer solution, Riedel de Haen, Art. No. 33541
pH 6 Buffer solution, Riedel de Haen, Art. No. 33545
TEST SYSTEM
- Measuring equipment: determination of the pH value is done with a pH meter equipped with a calibrated single-rod glass electrode. - Sample No.:
- #1
- Type:
- log Koc
- Value:
- 2.3
- pH:
- 2
- Temp.:
- 25 °C
- Key result
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- 0.6
- pH:
- 6
- Temp.:
- 25 °C
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration (min):
pH2: 2-Nitrobenzamide (4.684), 3-Nitrobenzamide (5.362), 3,5-Dinitrobenzamide (6.467), Triazoxid (6.809), Naphthalene (19.001), 1,2,3-Trichlorobenzene (23.642)
pH6: 2-Nitrobenzamide (4.691), 3-Nitrobenzamide (5.346), 3,5-Dinitrobenzamide (6.413), Triazoxid (11.904), Naphthalene (18.483), 1,2,3-Trichlorobenzene (23.114)
- Details of fitted regression line (log k' vs. log Koc):
pH2: effective correlation, log k'=a+b*log Koc, k'=tR-t0/t0; a=-1.38743; b=0.69343; r=0.93311
pH6: effective correlation, log k'=a+b*log Koc, k'=tR-t0/t0; a=-1.15289; b=0.65643; r=0.94641
- Average retention data for test substance (min):
pH2: 5-Chlorothiophen-2-carboxylic acid (7.706)
pH6: 5-Chlorothiophen-2-carboxylic acid (3.041) - Validity criteria fulfilled:
- no
- Remarks:
- See 'Any other information on results incl. tables'.
- Conclusions:
- The adsorption coefficient (Koc) of the test substance is log Koc=2.3 at pH2 and log Koc=0.6 at pH6.
- Executive summary:
A study was performed to determine the adsorption coefficient (Koc) of the test substance according to EEC-guideline 2001/59/EEC C.19 (OECD 121). To comply with the demand of the guideline (dissociation of ionic test substances) and considering environmental relevance, pH 6 was chosen as pH value for the buffer. For the non-ionic form of the test substance the pH value was set to 2. Therefore, six calibration substances were injected into a HPLC-system at each buffer solution (pH 2, pH 6) under the same analytical conditions (column temperature 40 °C) as the test item. A calibration curve was created by using the measured retention (log k'-values) and the known log Koc-values of the calibration substances for linear regression. For the test at pH 6, no reference substance with a Koc value above the value for the test substance was available. For this reason, the result was extrapolated. From the resulted calibration curve and its equation the log Koc of the substance had been calculated. A significant difference between the results at pH 6 and pH 2 was observed. The adsorption coefficient (Koc) of the test item is log Koc=0.6 (pH 6) and for the non-ionic form of the test substance log Koc=2.3 (pH 2).
Reference
Validity criteria for the measurement of the adsorption/ desorption:
Target condition according to guideline: | Actual condition according to the study: | Validity criteria met: |
Determinations should be run at least in duplicate. The values of log Koc derived from individual measurements should be within a range of 0.25 log unit. | Number of determinations: 3 The values of log Koc between the individual measurements differed <0.25 log unit. | Yes |
To correlate the measured HPLC-retention data of a test substance with its adsorption coefficient Koc, a calibration graph of log Koc versus log k’ has to be established. A minimum of six reference points, at least one above and one below the expected value of the test substance should be used. | Two calibration graphs, each with six reference points, were established with log Koc ranging from 1.45 - 3.16. For the test at pH 6 no reference substance with Koc above the measured log Koc of the substance was available, for this reason result was extrapolated. | No |
The method is applicable for the determination of log Koc values ranging from 1.5 to 5.0 . | The determined value for the test substance at pH 6 was Koc=0.6 and does not exactly meet the range of application. | No |
Description of key information
A study was performed to determine the adsorption coefficient (Koc) of the test substance according to EEC-guideline 2001/59/EEC C.19 (OECD 121). To comply with the demand of the guideline (dissociation of ionic test substances) and considering environmental relevance, pH 6 was chosen as pH value for the buffer. For the non-ionic form of the test substance the pH value was set to 2. Therefore, six calibration substances were injected into a HPLC-system at each buffer solution (pH 2, pH 6) under the same analytical conditions (column temperature 40 °C) as the test item. A calibration curve was created by using the measured retention (log k'-values) and the known log Koc-values of the calibration substances for linear regression. For the test at pH 6, no reference substance with a Koc value above the value for the test substance was available. For this reason, the result was extrapolated. From the resulted calibration curve and its equation the log Koc of the substance had been calculated. A significant difference between the results at pH 6 and pH 2 was observed. The adsorption coefficient (Koc) of the test item is log Koc=0.6 (pH 6) and for the non-ionic form of the test substance log Koc=2.3 (pH 2).
Key value for chemical safety assessment
Other adsorption coefficients
- Type:
- other: Koc (pH 6)
- Value in L/kg:
- 4
- at the temperature of:
- 25 °C
Other adsorption coefficients
- Type:
- other: Koc (pH 2)
- Value in L/kg:
- 200
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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