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EC number: 268-211-2 | CAS number: 68037-36-5
- 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
- Remarks:
- Estimation of the adsorption coefficient on soil and sewage sludge using HPLC.
- Adequacy of study:
- key study
- Study period:
- 23 May 2017 to 17 July 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))
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- other: Soil and Sludge
- Radiolabelling:
- no
- Test temperature:
- 40.0 degress Celcius
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Agilent Series 1100 High Performance Liquid Chromatograph (HPLC) with an Agilent Series 1100 Variable Wavelength (UV) Detector
- Type: Agilent InfinityLab Poroshell 120 EC-CN
- Type, material and dimension of analytical (guard) column: 100 x 3.0 mm, 2.7-µm
- Detection system: HPLC
MOBILE PHASES
- Type: Methanol and reagent water
- Experiments with additives carried out on separate columns: no
- pH: 6.50
- Solutes for dissolving test and reference substances: Reagent Water; 55:45, v/v
DETERMINATION OF DEAD TIME
- Method: The reference substance urea was used to determine the analytical column dead time. Five additional reference substances with known Log Koc values were used to prepare a calibration curve for calculating an estimated Log Koc for each of the test substance components.
REFERENCE SUBSTANCES
- Identity: Urea; Acetanilide; Phenol; Naphthalene; Phenanthrene; and 1,1-Bis(4-chlorophenyl)- 2,2,2-trichloroethane, 98%; 4,4’-DDT.
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: A primary stock solution of the test substance was prepared at a nominal concentration of 10.0 mg/L by accurately weighing 0.0100 g of the test substance into a 1000 mL volumetric flask and bringing to volume with reagent water. Three subsamples of the stock preparation were each prepared at a nominal concentration of 4.00 mg/L for analysis by fortifying an appropriate amount (4.00 mL) of the
primary stock into separate 10.0 mL volumetric flasks. A fourth subsample of the stock preparation was prepared at a nominal concentration of 4.50 mg/L by fortifying an appropriate amount (4.50 mL) of the primary stock into a 10.0 mL volumetric flask. The volumetric flasks were then brought to final volume with methanol. An aliquot of each final volume from the test solutions was transferred to and sealed in autosampler vials and submitted for HPLC/UV analysis. Each of the solution injections (10.0 µL) gave an acceptable UV response.
- Quantity of reference substances: An appropriate amount of each reference stock was fortified into separate 10.0-mL volumetric flasks preloaded with 4.5 milliliters of H2O and was brought to a 10.0 milliliters final volume with MeOH. The reference standard solutions yielded a final solution composition of 55% MeOH: 45% H2O (v/v) and the selected standard nominal concentrations gave an appropriate detector response for each reference substance.
- Intervals of calibration: The calibration standards injection sequence was repeated following the test substance injections.
REPETITIONS
- Number of determinations: A total of six reference substances were prepared and injected in duplicate (once near the beginning and once near the end of the HPLC sequence).
EVALUATION
- Calculation of capacity factors k': The logarithms of the capacity factors were then plotted against published log Koc values for the five calibration standards with known log Koc to establish a linear regression equation. k = (tR – t0)/t0
- Calculation of retention times: Determined by HPLC; The retention times for one of the reference substances, urea, was used to determine the analytical column dead time (t0) for use in calculating capacity factors (k) of the remaining reference substances and the test substance. The mean retention time of urea was 1.025 minutes.
- Determination of the log Koc value:The Log Koc for the test substance was calculated by substituting the calculated logarithm of the capacity factor for the test substance into the linear regression equation for the calibration curve. - Key result
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- <= 1.08 dimensionless
- pH:
- 6.5
- Temp.:
- 40 °C
- Matrix:
- soil and sewage sludge
- Remarks on result:
- other: The corresponding adsorption coefficient (Log Koc) for the test substance by UV ranged from Unretained (< Urea) to 1.08.
- Details on results (HPLC method):
- The corresponding adsorption coefficient (Log Koc) for the test substance by UV ranged from Unretained (< Urea) to 1.08.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The study was performed to estimate the adsorption coeficient of the test substance in soil and sludge using a high performance liquid chromatography (HPLC) based methodology, per OECD Guideline 121. Under the chromatographic conditions specified, the test substance eluted as 3 peaks on the ultraviolet (UV) detector. The corresponding Log Koc for the test substance ranged from unretained (
- Executive summary:
The study was performed to estimate the adsorption coefficient of the test substance in soil and sludge using a high performance liquid chromatography (HPLC) based methodology, per OECD Guideline 121. Under the chromatographic conditions specified, the test substance eluted as 3 peaks on the ultraviolet (UV) detector. The corresponding Log Koc for the test substance ranged from unretained (<Urea) to 1.08.
Reference
Table 1: Reference substances
Reference Standard |
Concentration (mg/L) |
Retention Times (minutes) |
Capacity factor (k)** |
log k |
log koc |
Urea* |
300 |
1.027 |
NA |
NA |
NA |
1.023 |
|||||
Acetanilide |
40 |
1.223 |
0.193 |
-0.714 |
1.25 |
1.223 |
0.193 |
-0.714 |
|||
Phenol |
25 |
1.269 |
0.238 |
-0.623 |
1.32 |
1.270 |
0.239 |
-0.622 |
|||
Naphthalene |
10 |
1.801 |
0.757 |
-0.121 |
2.75 |
1.802 |
0.758 |
-0.120 |
|||
Phenanthrene |
10 |
2.610 |
1.55 |
0.189 |
4.09 |
2.640 |
1.55 |
0.189 |
|||
DDT |
50 |
5.5400 |
4.40 |
0.644 |
5.63 |
5.535 |
4.40 |
0.643 |
|||
* Dead time |
Table 2: Results with test material
Sample |
Peak |
Retention time (minutes) |
Mean (Standard Deviation) |
log koc |
Mean (standard deviation) |
1 |
1 |
0.420 |
0.416 (0.0032) |
Unretained (< Urea) |
NA |
2 |
1 |
0.414 |
Unretained (< Urea) |
||
3 |
1 |
0.415 |
Unretained (< Urea) |
||
1 |
2 |
0.705 |
0.703 (0.0026) |
Unretained (< Urea) |
NA |
2 |
2 |
0.700 |
Unretained (< Urea) |
||
3 |
2 |
0.704 |
Unretained (< Urea) |
||
1 |
3 |
1.23 |
1.23 (0.0010) |
1.09 |
1.08 (0.0071) |
2 |
3 |
1.23 |
1.07 |
||
3 |
3 |
1.23 |
1.08 |
Description of key information
The study was performed to estimate the adsorption coefficient of the test substance in soil and sludge using a high performance liquid chromatography (HPLC) based methodology, per OECD Guideline 121, estimation of the adsorption coefficient on soil and sewage sludge using HPLC. Under the chromatographic conditions specified, the test substance eluted as 3 peaks on the ultraviolet (UV) detector. The corresponding Log Koc for the test substance ranged from unretained (<Urea) to 1.08.
Key value for chemical safety assessment
- Koc at 20 °C:
- 12.023
Other adsorption coefficients
- Type:
- other: log Koc (soil and sewage sludge) using HPLC
- Value in L/kg:
- 1.08
- at the temperature of:
- 20 °C
Additional information
[LogKoc: 1.08]
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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