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EC number: 941-893-5 | CAS number: 15229-79-5
- 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:
- 14-02-2015 to 17-04-2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP. All relevant validity criteria were met.
- 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)
- Remarks:
- inspected: June 2013; signature: November 2013
- Type of method:
- HPLC estimation method
- Media:
- other: soil and sediment
- Radiolabelling:
- no
- Details on study design: HPLC method:
- EQUIPMENT
- Instrument: HPLC Agilent 1100
- Detector: Diode Array Detector (DAD)
- Column: YMC-Pack Cyano, 250 x 4.0 mm, S-5 IJm, 12nm, batch 11334
- Detection system: UV-diode array detection, 210 nm for the test item sample solution, 210 to 250 nm (range) for the reference items and 210 nm deadtime solutions
MOBILE PHASES
- Type: Methanol: HPLC water (55 : 45 v/v); Flow-rate 0.8 mL per minute.
- Experiments with additives carried out on separate columns: No
- pH: mobile phase: pH = ca. 7.0
- Column temperature: 20-25°C
- Solutes for dissolving test and reference substances: None.
DETERMINATION OF DEAD TIME
- Method: by inert substances which are not retained by the column
REFERENCE SUBSTANCES
Acetanilide, CAS 103-84-4, log Koc (soil) 1.26, log Koc (sewage sludge) 1.52 (OECD Guideline 121); concentration 5 mg/L
Atrazine, CAS 1912-24-9, log Koc (soil) 1.81, log Koc (sewage sludge) 1.66 (OECD Guideline 121); concentration 5 mg/L
Monuron, CAS 150-68-5, log Koc (soil) 1.99, log Koc (sewage sludge) 1.46 (OECD Guideline 121); concentration 5 mg/L
Linuron, CAS 330-55-2, log Koc (soil) 2.59, log Koc (sewage sludge) 2.43 (OECD Guideline 121); concentration 5 mg/L
Phenyl benzoate, CAS 93-99-2, log Koc (soil) 2.87, log Koc (sewage sludge) 3.26 (OECD Guideline 121); concentration 5 mg/L
Fenthion, CAS 55-38-9, log Koc (soil) 3.31, log Koc (sewage sludge) 3.75 (OECD Guideline 121); concentration 5 mg/L
Phenanthrene, CAS 85-01-8, log Koc (soil) 4.09, log Koc (sewage sludge) 4.35 (OECD Guideline 121); concentration 5 mg/L
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: 10μL per injection; an aliquot of test item (200 mg/L) was diluted to with methanol and then a test concentration of 110 mg/L sample was prepared using methanol/HPLC water to mobile phase ratio (methanol/HPLC water 55:45 v/v). Injected in triplicate,
- Quantity of reference substances: 10μL per injection; the concentration of each reference substance is indicated above injected in duplicate. Dead time was determined at 5 mg/L in triplcate.
REPETITIONS
- Number of determinations: three
EVALUATION
- Calculation of capacity factors k': Calculated as a ratio of retention time of retained compounds relative to unretained substances after determination of the column dead time.
- Calculation of retention times: Determined empirically relative to the known column dead time.
- Determination of the log Koc value: Capacity factors (log k') for reference substances were plotted against absorption coefficients (log Koc). The log Koc for the test item was then calculated using the resultant equation for the calibration curve and the experimentally determined log k'. - Type:
- log Koc
- Remarks:
- in soil
- Value:
- 2.4 dimensionless
- pH:
- 7
- Temp.:
- 23.6 °C
- Remarks on result:
- other: Mean temperature: 23.6 °C (min: 23.5 °C ; max: 23.7 °C)
- Type:
- Koc
- Remarks:
- in soil
- Value:
- 251 L/kg
- pH:
- 7
- Temp.:
- 23.6 °C
- Remarks on result:
- other: Mean temperature: 23.6 °C (min: 23.5 °C ; max: 23.7 °C)
- Type:
- log Koc
- Remarks:
- in sewage sludge
- Value:
- 2.5 dimensionless
- pH:
- 7
- Temp.:
- 23.6 °C
- Remarks on result:
- other: Mean temperature: 23.6 °C (min: 23.5 °C ; max: 23.7 °C)
- Type:
- Koc
- Remarks:
- in sewage sludge
- Value:
- 316 L/kg
- pH:
- 7
- Temp.:
- 23.6 °C
- Remarks on result:
- other: Mean temperature: 23.6 °C (min: 23.5 °C ; max: 23.7 °C)
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: See table 1.
- Details of fitted regression line (log k' vs. log Koc): Calibration 1: r = 0.9550 and r2 = 0.9120 and Calibration 2: r = 0.9605 and r2 = 0.9225
- Average retention data for test substance: See table 2 - Validity criteria fulfilled:
- yes
- Conclusions:
- The test item adsorption coefficient (log Koc) according to OECD Guideline 121 was estimated by HPLC analysis to be for soil: log Koc 2.4 at 23.6 °C and for sewage sludge Koc = 2.5 at 23.6 °C.
- Executive summary:
The study was performed to OECD TG 121 and EU Method C.19 to assess the adsorption coefficient (Koc) of the test substance in accordance with GLP using a high performance chromatography system. The retention times of the test substance and selected reference items were accurately measured using HPLC fitted with a cyanopropyl column. The retention times were consistent over the course of the study. The dead time of the instrument was also measured and capacity factors were calculated for each substance. Calibration curves were constructed by plotting the capacity factor (log k') for the reference substances against their adsorption coefficients (log Koc). Linear regression analysis was performed and this showed a reasonable relationship between the capacity factors and the adsorption coefficients. The test was performed at a singular pH ca. 7.0 as the test item does not possess ionisable moieties in an environmentally relevant pH range. The adsorption coefficient of the test item was estimated using the calibration curve constructed from all reference items. Under the conditions of this study, the test substance adsorption coefficient (log Koc) for soil/sewage sludge was estimated to be for soil: log Koc 2.4 and for sewage sludge Koc = 2.5 at 23.6 °C and pH ca. 7.0 by HPLC analysis.
Reference
Table 1. Capacity Factors (k’) of the reference substances and for soil and sewage sludge
Reference Item |
Log Koc Soil |
Log Koc sewage sludge |
1stcalibration |
2ndcalibration |
||||
|
|
|
tr2 / min |
k' |
log k’ |
tr2 / min |
k' |
log k’ |
Acetanilide |
1.26 |
1.52 |
4.073 |
1.536 |
0.186 |
4.076 |
1.538 |
0.187 |
Atrazine |
1.81 |
1.66 |
4.743 |
1.953 |
0.291 |
4.749 |
1.957 |
0.292 |
Monuron |
1.99 |
1.46 |
5.073 |
2.159 |
0.334 |
5.078 |
2.162 |
0.335 |
Linuron (1) |
2.59 |
2.43 |
7.951 |
3.951 |
0.597 |
7.968 |
3.961 |
0.598 |
Benzoic acid phenyl ester |
2.87 |
3.26 |
7.671 |
3.776 |
0.577 |
7.689 |
3.788 |
0.578 |
Fenthion |
3.31 |
3.75 |
13.068 |
7.137 |
0.854 |
13.100 |
7.157 |
0.855 |
Phenanthrene |
4.09 |
4.35 |
12.302 |
6.660 |
0.823 |
12.322 |
6.672 |
0.824 |
|
|
|
|
|
|
|
|
|
tr1 = Retention time injection 1
tr2 = Retention time injection 2
k’ = Capacity Factor
Koc = Adsorption Coefficient
(1) = not used for tr sewage sludge determination
Table 2. Capacity Factors (k’) of the reference substances and for soil and sewage sludge
|
Log Koc Soil |
Log Koc sewage sludge |
tr2 / min |
k' |
log k’ |
Test Item |
|
|
6.317 |
2.933 |
0.4673 |
|
|
|
6.320 |
2.935 |
0.4676 |
|
|
|
6.318 |
2.934 |
0.4675 |
|
|
|
|
|
|
Mean |
2.4 ± 0.1 |
2.5 ± 0.2 |
6.318 |
2.934 |
0.4675 |
95% C.I. |
2.1 to 2.7 |
2.0 to 2.9 |
|
|
|
tr = Retention time
C.I. = Confidence Interval
Description of key information
log Koc (soil) = 2.4 (Koc 251) and log Koc (sewage sludge) = 2.5 (Koc 316) at 23.6 °C, pH ca. 7.0 and 1 atm, OECD TG 121, 2014
Key value for chemical safety assessment
Additional information
The study was performed to OECD TG 121 and EU Method C.19 to assess the adsorption coefficient (Koc) of the test substance in accordance with GLP using a high performance chromatography system. The retention times of the test substance and selected reference items were accurately measured using HPLC fitted with a cyanopropyl column. The retention times were consistent over the course of the study. The dead time of the instrument was also measured and capacity factors were calculated for each substance. Calibration curves were constructed by plotting the capacity factor (log k') for the reference substances against their adsorption coefficients (log Koc). Linear regression analysis was performed and this showed a reasonable relationship between the capacity factors and the adsorption coefficients. The test was performed at a singular pH ca. 7.0 as the test item does not possess ionisable moieties in an environmentally relevant pH range. The adsorption coefficient of the test item was estimated using the calibration curve constructed from all reference items. Under the conditions of this study, the test substance adsorption coefficient (log Koc) for soil/sewage sludge was estimated to be for soil: log Koc 2.4 and for sewage sludge Koc = 2.5 at 23.6 °C and pH ca. 7.0 by HPLC analysis.
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