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EC number: - | CAS number: -
- 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, other
- Remarks:
- soil-adsorption-reference data
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 29 June 2017 - 07 November 2017
- 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))
- Version / remarks:
- 2008
- Deviations:
- no
- 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
- Type of method:
- HPLC estimation method
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- 35°C
- Details on study design: HPLC method:
- ANALITYCAL CONDITIONS
Instrument: Acquity UPLC system (Waters, Milford, MA, USA)
Detector: Acquity UPLC PDA detector (Waters)
Column: Acquity UPLC HSS Cyano, 100 mm x 2.1 mm i.d., dp = 1.8 µm (Waters)
Column temperature: 35°C +/- 1°C
Injection volume: 5 µL
Solvent A: methanol
Solvent B: water
Gradient:
Time Solvent A Solvent B
[minutes] [%] [%]
0 55 45
20 55 45
20.1 100 0
30 100 0
30.1 55 45
35 55 45
Flow: 0.4 mL/min
UV detection: 210 nm - Analytical monitoring:
- no
- Details on sampling:
- Reference substance and test item solutions were injected in duplicate.
Blank solutions and the solution of the unretained compound were analyzed by single injection. - Details on test conditions:
- PRINCIPLE OF THE TEST METHOD:
While passing through the column along with the mobile phase the test item interacts with the stationary phase. As a result of partitioning between mobile and stationary phases, the test item is retarded. The dual composition of a cyanopropyl 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 is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between the retention time on the column and the Koc on organic matter to be established.
DETAILS ON MIBILE PHASE
The test item is a UVCB substance and consists of many compounds. Major part of the compounds does not have any ionisable group. Therefore the measurements were performed without buffering of the mobile phase (neutral pH).
CALIBRATION CURVE PREPARATION
Solutions of reference substances with known log Koc values based on soil adsorption data and the test item were analyzed. The capacity factor (k') of each compound was calculated from its retention time. The log k’ values of the references substances were plotted against the known log Koc values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The coefficient of correlation (r) was calculated. The log Koc value for the test item was calculated by substituting its mean log k’ in the calibration curve. The value of log Koc obtained from duplicate measurements was within =/- 0.25 log units.
- Key result
- Type:
- log Koc
- Remarks:
- highest value in the range (peaks 21 - 31)
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Remarks on result:
- other: Detailed results on Log Koc and Koc are presented under HPLC results below.
- Details on results (HPLC method):
- The results of the HPLC method are given in Table below. The equation of the regression line was: log k’ = 0.319 x log Koc – 0.828 (r = 0.98, n = 16).
Substance Retention time (min) log Koc Koc
tr,1 tr,2 mean
Formamide 0.683 1 0.683
Acetanilide 0.897 0.899 0.898 1.26
Monuron 1.103 1.106 1.105 1.99
2,5-Dichloroaniline 1.256 1.261 1.259 2.55
Naftaleen 1.460 1.466 1.463 2.75
Benzoic acid phenylester 1.715 1.723 1.719 2.87
Fenthion 2.290 2.304 2.297 3.31
Phenantrene 2.536 2.549 2.543 4.09
4,4'-DDT 6.149 6.178 6.164 5.63
TI208171 peak 1 0.483 0.477 0.480 < 1.26 < 1.8 x 101
TI208171 peak 2 0.681 0.683 0.682 < 1.26 < 1.8 x 101
TI208171 peak 3 1.091 1.093 1.092 1.90 7.9 x 101
TI208171 peak 4 1.246 1.248 1.247 2.34 2.2 x 102
TI208171 peak 5 1.381 1.384 1.383 2.63 4.3 x 102
TI208171 peak 6 1.557 1.561 1.559 2.94 8.7 x 102
TI208171 peak 7 1.738 1.742 1.740 3.19 1.6 x 103
TI208171 peak 8 1.925 1.929 1.927 3.42 2.6 x 103
TI208171 peak 9 2.179 2.184 2.182 3.67 4.7 x 103
TI208171 peak 10 2.397 2.403 2.400 3.86 7.2 x 103
TI208171 peak 11 2.683 2.686 2.685 4.06 1.2 x 104
TI208171 peak 12 3.187 3.189 3.188 4.37 2.3 x 104
TI208171 peak 13 3.494 3.496 3.495 4.53 3.4 x 104
TI208171 peak 14 3.735 3.737 3.736 4.64 4.4 x 104
TI208171 peak 15 3.980 3.984 3.982 4.75 5.6 x 104
TI208171 peak 16 4.301 4.306 4.304 4.87 7.5 x 104
TI208171 peak 17 4.781 4.789 4.785 5.04 1.1 x 105
TI208171 peak 18 5.105 5.112 5.109 5.15 1.4 x 105
TI208171 peak 19 5.441 5.439 5.440 5.24 1.8 x 105
TI208171 peak 20 5.865 5.870 5.868 5.36 2.3 x 105
TI208171 peak 21 6.556 6.579 6.568 > 5.63 > 4.3 x 105
TI208171 peak 22 6.721 6.726 6.724 > 5.63 > 4.3 x 105
TI208171 peak 23 7.505 7.516 7.511 > 5.63 > 4.3 x 105
TI208171 peak 24 7.794 7.807 7.801 > 5.63 > 4.3 x 105
TI208171 peak 25 8.548 8.560 8.554 > 5.63 > 4.3 x 105
TI208171 peak 26 8.815 8.824 8.820 > 5.63 > 4.3 x 105
TI208171 peak 27 10.740 10.743 10.742 > 5.63 > 4.3 x 105
TI208171 peak 28 11.528 11.529 11.529 > 5.63 > 4.3 x 105
TI208171 peak 29 11.577 11.578 11.578 > 5.63 > 4.3 x 105
TI208171 peak 30 11.663 11.664 11.664 > 5.63 > 4.3 x 105
TI208171 peak 31 11.743 11.745 11.744 > 5.63 > 4.3 x 105
TI208171 peak 32 11.784 11.785 11.785 > 5.63 > 4.3 x 105
TI208171 peak 33 11.806 11.807 11.807 > 5.63 > 4.3 x 105
TI208171 peak 34 11.831 11.833 11.832 > 5.63 > 4.3 x 105 - Adsorption and desorption constants:
- The equation of the regression line was: log k’ = 0.319 x log Koc – 0.828 (r = 0.98, n = 16).
- Transformation products:
- not specified
- Validity criteria fulfilled:
- yes
- Conclusions:
- The soil adsorption of the test item was determined according to OECD Guideline No. 121, EC Guideline No. C.19 and GLP principles.
The HPLC method was applied, using soil-adsorption-reference data
The test item is a UVCB substance, with a complex composition. The components of the test item have Kocvalues in the range of < 1.8´101to > 4.3´105. It corresponds with log Kocvalues of < 1.26 to > 5.63. - Executive summary:
The soil adsorption of the test item was determined according to OECD Guideline No. 121, EC Guideline No. C.19 and GLP principles.
The HPLC method was applied, using soil-adsorption-reference data
The test item is a UVCB substance, with a complex composition. The components of the test item have Kocvalues in the range of < 1.8´101to > 4.3´105. It corresponds with log Kocvalues of < 1.26 to > 5.63.
Reference
Description of key information
The Objective of the study was the determination of the soil adsorption of the test item according to OECD Guideline No. 121, EC Guideline No. C.19 and GLP principles.
The HPLC method was applied, using soil-adsorption-reference data
The test item is a UVCB substance, with a complex composition.The components of the test item have Kocvalues in the range of < 1.8 x 101to > 4.3 x 105. It corresponds with log Kocvalues of < 1.26 to > 5.63.
The lowest Koc value that was reliably quantified (i.e. the response was within the calibration range), was Koc = 79. Therefore, this Koc value was used as a worst-case value to calculate PNECsediment and PNECsoil. However, the highest Koc value that was reliably quantified was Koc = 230000. The highest Koc is considered worst-case for calculation of PECs for sediment and soil, therefore this Koc value is used as key value for chemical safety assessment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 230 000
Additional information
[range measured: Koc 79 - 230000, LogKoc: 1.9 - 5.36]
[range of reference substances: Koc <18 - >430000, LogKoc <1.26 - >5.63]
[LogKoc: 5.36]
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