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EC number: 614-657-1 | CAS number: 68609-08-5
- 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:
- from 2007-10-29 to 2007-10-30
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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:
- yes
- Test temperature:
- 25 °C
- Details on study design: HPLC method:
- Apparatus
HPLC system: Merck-Hitachi LaChrom HPLC system:
D-7000 Interface, No.: 1126-175
L-7100 HPLC pump, No.: 1388-056
L-7200 Autosampler, No.: 1380-033
L-7400 UV Detector, No.: 1374-025
L-7360 Column Oven, No.: 00118060
L-7614 Degasser, No.: 144116A0094
Balance: BP 221 S Sartorius, No.: 11809117
Ultrasonic bath: ELMA Elmasonic S300H, No.:10890105
PH meter: Radelkisz OP-208, No.:1701
Water purification system: MILLIPORE, DIRECT Q3,
FOMNO 7334I
Stationary Phase
Analytical column: LiChrospher 100 CN (5µm) 250x4 No.: 638212
HPLC Conditions
Detector: UV at 230 nm
Flow: 0.8 mL/min.
Injection volume: 5 µL
Temperature: 25 °C
Mixtures, Solutions
Mobil Phase: Methanol: Water and Trifluoroacetic acid mixture with the ratio 55 : 45 : 0.1(v/v)
Test Item: 1 mg/mL test item was dissolved in Methanol
Reference Substances
Eight chemicals for which log Koc has been reported were used to calibrate the elution time in units of log Koc.
Reference substances used for calibration:
Sodium nitrate = T0
Acetanilide = 1.25
Methyl benzoate = 1.80
Isoproturon = 1.86
Linuron = 2.59
Naphthalene = 2.75
Pyrazophos = 3.65
Phenantrene = 4.09
DDT = 5.63 - Key result
- Type:
- Koc
- Value:
- 65 860
- Key result
- Type:
- log Koc
- Value:
- 4.82
- Details on results (HPLC method):
- The adsorption coefficient Koc was determined based on a calibration curve using 8 reference items. The capacity factors k’ were calculated from the dead time and retention times of the reference substances. The log k’ data of the reference substances were plotted against their log Koc values.
- Validity criteria fulfilled:
- yes
- Conclusions:
- In the course of this study the adsorption coefficient (Koc) of the test item was estimated, using high performance liquid chromatography.
The log Koc of the test item was found to be 4.82.
The quality criteria were met, as values of log Koc derived from individual measurements fell within a range of ± 0.25 log units and the correlation coefficient R was >0.95.
The estimated log Koc: 4.82
The estimated Koc: 65860 - Executive summary:
The adsorption/desorption characteristics of the test item were studied using high performance liquid chromatography. While passing through a column along with the mobile phase the test item interacts with the stationary phase. As a result of portioning between mobile and stationary phases the test item is retarded. The dual composition of the stationary phase having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as in the case for organic matter in soil or matrices. This enables the relationship between the retention time on the column and the adsorption coefficient on organic matter to be established. For calibration purposes the following reference substances were used:
Log Koc mean values of reference substances used from the batch equilibrium method as follows:
Acetanilide = 1.25
Methyl benzoate = 1.80
Isoproturon = 1.86
Linuron = 2.59
Naphthalene = 2.75
Pyrazophos = 3.65
Phenantrene = 4.09
DDT = 5.63
The reference substances were dissolved in methanol. The concentration of the stock solutions was about 1 mg/ml. These stock solutions were diluted with the eluent resulting in concentrations of the test solutions of approximately 50 µg/ml. The test item was dissolved in methanol. The concentration of this solution was about 1 mg/ml. It was diluted with eluent to 500 µg/ml. Three series were measured which contained the above reference solutions and the test item solution. The series of the solution were measured with two parallel injections, each. The retention times were determined. The three calibration series and three test item series were measured alternately. For the determination of t0 (t0 = retention time of the unretarded component) Sodium Nitrate solution was measured three times. Chromatograms were evaluated using LaChrom chromatogram processor software. Calculations were carried out using EXCEL for Windows. The capacity factors, k’ were calculated from the retention times (tR) of the selected reference substances and the dead time (t0). The log k’ data of the reference substances were plotted against their log Koc values. The regression coefficients (m, b) were determined by linear regression calculation using the least squares method. Log Koc value of the test item was calculated using these regression coefficients and the capacity factor of the test item: log k' = m * log Koc + b. The log Koc was found to be 4.82. The quality criteria were met, as values of log Koc derived from individual measurements fell within a range of ± 0.25 log units and the correlation coefficient R was >0.95.
Reference
Description of key information
In the course of this study the adsorption coefficient (Koc) of the test item was estimated, using high performance liquid chromatography.
The log Koc of the test item was found to be 4.82.
The estimated log Koc: 4.82
The estimated Koc: 65860
Key value for chemical safety assessment
- Koc at 20 °C:
- 65 860
Additional information
The adsorption/desorption characteristics of the test item were studied using high performance liquid chromatography. While passing through a column along with the mobile phase the test item interacts with the stationary phase. As a result of portioning between mobile and stationary phases the test item is retarded. The dual composition of the stationary phase having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as in the case for organic matter in soil or matrices. This enables the relationship between the retention time on the column and the adsorption coefficient on organic matter to be established. For calibration purposes the following reference substances were used:
Log Koc mean values of reference substances used from the batch equilibrium method as follows:
Acetanilide = 1.25
Methyl benzoate = 1.80
Isoproturon = 1.86
Linuron = 2.59
Naphthalene = 2.75
Pyrazophos = 3.65
Phenantrene = 4.09
DDT = 5.63
The reference substances were dissolved in methanol. The concentration of the stock solutions was about 1 mg/mL. These stock solutions were diluted with the eluent resulting in concentrations of the test solutions of approximately 50 µg/mL. The test item was dissolved in methanol. The concentration of this solution was about 1 mg/mL. It was diluted with eluent to 500 µg/mL. Three series were measured which contained the above reference solutions and the test item solution. The series of the solution were measured with two parallel injections, each. The retention times were determined. The three calibration series and three test item series were measured alternately. For the determination of t0 (t0 = retention time of the unretarded component) Sodium Nitrate solution was measured three times. Chromatograms were evaluated using LaChrom chromatogram processor software. Calculations were carried out using EXCEL for Windows. The capacity factors, k’ were calculated from the retention times (tR) of the selected reference substances and the dead time (t0). The log k’ data of the reference substances were plotted against their log Koc values. The regression coefficients (m, b) were determined by linear regression calculation using the least squares method. Log Koc value of the test item was calculated using these regression coefficients and the capacity factor of the test item: log k' = m * log Koc + b. The log Koc was found to be 4.82. The quality criteria were met, as values of log Koc derived from individual measurements fell within a range of ± 0.25 log units and the correlation coefficient R was >0.95.
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