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EC number: 226-827-9 | CAS number: 5495-84-1
- 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:
- 15 August 2017 to 16 August 2017
- 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))
- Version / remarks:
- 2001
- 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:
- not specified
- Test temperature:
- 20 °C
- Details on study design: HPLC method:
- TEST DESCRIPTION
- The main test was performed by isocratic elution with acetonitrile/water in a ratio of 50 : 50 %.
- For the main test 19.2 mg of the dead time marker formamide were dissolved in 25 mL acetonitrile.
- Between 12.2 mg and 21.6 mg of the reference materials (Acetanilide, Atrazine, Triadimenol, Linuron, 1,2,3-Trichloro benzene, Diclofop-methyl and 4,4’-DDT) were dissolved in 25 mL acetonitrile.
- 7.2 mg of the test material were dissolved in 100 mL acetonitrile.
- The dead time marker (Formamide) was injected and measured twice before the reference materials and the test material. After that two series of measurements of the reference and test materials were performed, wherein the reference substances and the test material were injected separately into the mobile phase.
HPLC METHOD
- Parameters:
Apparatus: Agilent 1100/1200 System: degasser G1322A, quaternary pump G1311A, autosampler G1329A, ALS thermostat G1330B, COLCOM column oven G1316A, VWD UV-detector G1314A
Stationary phase: Nucleosil 100-5 CN, Macherey-Nagel
Column length: 150 mm
Column inner diameter: 4.6 mm
Pore size: 5 µm
Column temperature: 20 °C
Injection volume: 10 µL
Solvent flow: 1 mL/min
Wave length: Dead time marker: 210 nm, Reference materials: 254 nm and Test material: 386 nm
Mobile phase: Isocratic: acetonitrile / double distilled water 50:50 % (v/v)
- Quality criteria: The value of log Koc derived from repeated measurements made under identical conditions and using the same set of reference materials should fall within a range of ±0.25 log units.
Typically, the correlation coefficient r for the relationship between log k and log Koc for a set of test substances is around 0.95. - Key result
- Type:
- log Koc
- Value:
- 3.98
- Temp.:
- 20 °C
- Remarks on result:
- other: ± <0.01
- Key result
- Type:
- Koc
- Value:
- 9 640
- Temp.:
- 20 °C
- Remarks on result:
- other: ± 70
- Details on results (HPLC method):
- MAIN TEST
- After the measurements of the retention times tR the log k values of the reference materials were plotted as a function of their log Koc values. The adsorption coefficient of the test material was obtained by interpolation of the calculated capacity factor on the calibration graph of the reference materials.
- Mean retention time of the dead time marker: 1.964 minutes
- Retention times of the reference materials (1st and 2nd measurements) can be seen in Tables 1 and 2, respectively. The first measurement and the linear regression of the calibration graph leads to an equation for the log Koc of:
log Koc = 5.495·logk + 3.911 correlation coefficient r=0.9836.
The second measurement and the linear regression of the calibration graph leads to an equation for the log Koc of:
log Koc = 5.599·logk + 3.924 correlation coefficient r=0.9834.
With the determined regression coefficients a and b, the log Koc of the test material can be calculated for both measurements.
- The retention times and calculation of log Koc for the test material can be seen in Table 3.
The test material has an adsorption coefficient at 20 °C of log Koc = 3.98 ± < 0.01, Koc = 9640 ± 70. - Validity criteria fulfilled:
- yes
- Conclusions:
- Under the conditions of this study, the test material has an adsorption coefficient at 20 °C of log Koc = 3.98 ± < 0.01, Koc = 9640 ± 70.
- Executive summary:
The adsorption coefficient of the test material was determined in accordance with the standardised guidelines OECD 121 and EU Method C.19, under GLP conditions.
The main test was performed by isocratic elution with acetonitrile/water in a ratio of 50 : 50 %. The samples were analysed using high performance liquid chromatography (HPLC). The dead time marker was injected and measured twice before the reference materials and the test material. After that two series of measurements of the reference and test materials were performed, wherein the reference substances and the test material were injected separately into the mobile phase.
After the measurements of the retention times tR the log k values of the reference materials were plotted as a function of their log Koc values, the partition coefficient of the test material was obtained by interpolation of the calculated capacity factor on the calibration graph of the reference materials.
Under the conditions of this study, the test material has an adsorption coefficient at 20 °C of log Koc = 3.98 ± < 0.01, Koc = 9640 ± 70.
Reference
Table 1: Retention times of the reference materials (1st measurements)
Reference Material |
tR |
k |
log k |
log Koc[1] |
Acetanilid |
2.507 |
0.276 |
-0.558 |
1.25 |
Atrazin |
2.823 |
0.437 |
-0.359 |
1.81 |
Triadimenol |
3.059 |
0.558 |
-0.254 |
2.40 |
Linuron |
3.214 |
0.636 |
-0.196 |
2.59 |
1.2.3-Trichlorobenzen |
3.521 |
0.793 |
-0.101 |
3.16 |
Diclofop-methyl |
4.264 |
1.171 |
0.069 |
4.20 |
4.4' DDT |
5.426 |
1.763 |
0.246 |
5.63 |
Table 2: Retention times of the reference materials (2nd measurements)
Reference Material |
tR |
k |
log k |
log Koc1 |
Acetanilid |
2.516 |
0.281 |
-0.551 |
1.25 |
Atrazin |
2.835 |
0.443 |
-0.353 |
1.81 |
Triadimenol |
3.064 |
0.560 |
-0.252 |
2.40 |
Linuron |
3.219 |
0.639 |
-0.194 |
2.59 |
1.2.3-Trichlorobenzen |
3.521 |
0.793 |
-0.101 |
3.16 |
Diclofop-methyl |
4.240 |
1.159 |
0.064 |
4.20 |
4.4' DDT |
5.372 |
1.735 |
0.239 |
5.63 |
[1]Literature values of log Koc from OECD Test Guideline 121 (2001)
Table 3: Retention times of the test material
Test Material |
tR |
k |
log k |
log Koc |
Koc |
1st measurement |
3.987 |
1.030 |
0.013 |
3.982 |
9591 |
2nd measurement |
3.979 |
1.026 |
0.011 |
3.986 |
9689 |
mean value |
3.98 |
9640 |
|||
standard deviation |
<0.01 |
70 |
Description of key information
Under the conditions of this study, the test material has an adsorption coefficient at 20 °C of log Koc = 3.98 ± < 0.01, Koc = 9640 ± 70.
Key value for chemical safety assessment
- Koc at 20 °C:
- 9 640
Additional information
The adsorption coefficient of the test material was determined in accordance with the standardised guidelines OECD 121 and EU Method C.19, under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The main test was performed by isocratic elution with acetonitrile/water in a ratio of 50 : 50 %. The samples were analysed using high performance liquid chromatography (HPLC). The dead time marker was injected and measured twice before the reference materials and the test material. After that two series of measurements of the reference and test materials were performed, wherein the reference substances and the test material were injected separately into the mobile phase.
After the measurements of the retention times tR the log k values of the reference materials were plotted as a function of their log KOC values, the partition coefficient of the test material was obtained by interpolation of the calculated capacity factor on the calibration graph of the reference materials.
Under the conditions of this study, the test material has an adsorption coefficient at 20 °C of log Koc = 3.98 ± < 0.01, Koc = 9640 ± 70.
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