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EC number: 923-418-3 | 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
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: OECD guideline, GLP study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- 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 (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil/sewage sludge
Test material
- Reference substance name:
- LCE08121
- IUPAC Name:
- LCE08121
- Details on test material:
- Identification LCE08121
Expiry date Not provided
Supplier SEPPIC
Appearance White pellets
Packaging 2 white plastic flasks with blue stopper
Quantity received 2 X 1 L
Date of the reception 03 November 2008
Storage In darkness at room temperature
Identification number for the study 08-132
Constituent 1
- Radiolabelling:
- no
Study design
- Test temperature:
- around 20°C
HPLC method
- Details on study design: HPLC method:
- Analytical method for the adsorption/desorption coefficient determination
Reagents
Acetone for analysis
Methanol for HPLC
Water for HPLC
All the glassware was rinsed with acetone for analysis and air dried before use.
Apparatus
Autosampler Hitachi AS2000A
HPLC pump Hitachi L-6200A
UV visible detector Hitachi L-4250
Ultrasonic tank Transonic Type T425H
Magnetic stirrer Heidolph 94360
Balance: Accuracy 0.1 mg Mettler AE 100S
Usual laboratory apparatus
Safety instructions
The chemicals, solvents and equipment were used with caution. The safety rules defined within DEFITRACES were strictly followed.
Preparation of the mobile phase
A volume of 275 mL of water was transferred into a 500-mL graduated cylinder. A volume of 225 mL of methanol was added. The solution was treated with ultrasounds for
5 minutes and left to stand for 10 minutes before analysis.
Preparation of the thiourea solution
The thiourea solution was prepared at a concentration of about 800 mg/L and diluted 100 then 1.5 fold with methanol/eau 5/5 before analysis.
This diluted solution was used for the t0 determination.
Preparation of the analytical reference item solutions
Acetanilide, methylbenzoate, isoproturon, 1,2,3-trichlorobenzene, pyrazophos and 4,4’-DDT are the six reference items solutions chosen within the method recommended reference substances for the HPLC method.
For acetanilide, 1,2,3-trichlorobenzene, pyrazophos and 4,4’-DDT: A quantity of about 10 mg (to the nearest ± 0.1 mg) of reference item was weighed into a 100-mL volumetric flask. The volume was made up with methanol. The solution was treated with ultrasounds during 5 minutes.
For isoproturon: A quantity of about 5 mg (to the nearest ± 0.1 mg) of reference item was weighed into a 25-mL volumetric flask. The volume was made up with methanol. The solution was treated with ultrasounds during 5 minutes.
For methylbenzoate: A quantity of about 20 mg (to the nearest ± 0.1 mg) of reference item was weighed into a 25-mL volumetric flask. The volume was made up with methanol. The solution was treated with ultrasounds during 5 minutes.
Preparation of the diluted analytical reference item solutions
For acetanilide, methylbenzoate and isoproturon: A 20 times dilution was made up with a mixture of methanol/water 45/55 v/v. A vial was prepared for analysis.
For 1,2,3-trichlorobenzene, pyrazophos and 4,4’-DDT: A 5 times dilution was made up with a mixture of methanol/water 45/55 v/v. A vial was prepared for analysis.
These solutions were used as reference item solutions to obtain the calibration curve.
Preparation of the mixed analytical reference item solutions
Volumes of 1 mL of acetanilide, 1 mL of methylbenzoate, 1 mL of isoproturon, 4 mL of pyrazophos, 4 mL of 4,4’-DDT and 4 mL of 1,2,3-trichlorobenzene were transferred into a 20-mL volumetric flask. The volume was made up with the mixture of methanol/water 45/55 v/v.
A vial was prepared for analysis.
Preparation of the test item solution
A quantity of about 0.25 g of LCE08121 was accurately weighed into a 50-mL volumetric flask. The volume was made up with methanol. The solution was treated with ultrasounds for 5 minutes before analysis.
Instrumental analysis
The experimental conditions used for the determination of the retention times of the analytical reference items and of the test item by high pressure liquid chromatography equipped with an ultraviolet detector are as following:
Column
Column Supelco Length (cm) 25
Particle size (μm) 5.0 Internal diameter (mm) 4.6
Stationary phase Supelcosil LC-CN
Mobile phase Methanol / water 45/55 v/v
Flow rate (mL/min) 0.9
Injected volume (μL) 40 Wave length analysis (nm) 210
Injection sequence
Mixture of the analytical reference items, test item, mixture of the analytical reference items, test item, mixture of the analytical reference items, individual analytical reference items.
Results and discussion
Adsorption coefficient
- Type:
- log Koc
- Value:
- 4.42
- Temp.:
- 20 °C
Results: HPLC method
- Details on results (HPLC method):
- First run:
Products Mean Retention Time (min) Value of the Capacity factor k’ Value of log k’ Value of log koc
Acetanilide 4.68 0.27 -0.57 1.25
Methyl benzoate 5.80 0.58 -0.24 1.80
Isoproturon 6.74 0.83 -0.08 1.86
1,2,3-trichlorobenzene 12.41 2.37 0.37 3.16
Pyrazophos 20.25 4.50 0.65 3.65
4,4’ DDT 56.79 14.43 1.16 5.63
Test item 26.77 6.27 0.80 4.41
Mean t0 = 3.68 min (thiourea)
Using the Capacity factor and the adsorption coefficient of the reference items, the following calibration curve was obtained:
log k’ = 0.3855 log koc – 0.8998 r2 = 0.9652
Second run:
Products Mean Retention Time (min) Value of the Capacity factor k’ Value of log k’ Value of log koc
Acetanilide 4.69 0.27 -0.57 1.25
Methyl benzoate 5.81 0.58 -0.24 1.80
Isoproturon 6.74 0.83 -0.08 1.86
1,2,3-trichlorobenzene 12.34 2.35 0.37 3.16
Pyrazophos 19.97 4.43 0.65 3.65
4,4’ DDT 55.96 14.21 1.15 5.63
Test item 26.72 6.26 0.80 4.42
Mean t0 = 3.69 min (thiourea)
Using the Capacity factor and the adsorption coefficient of the reference items, the following calibration curve was obtained: log k’ = 0.3834 log koc – 0.8954 r2 = 0.9638
Discussion
Variation in the retention times of the reference items are very small. Therefore a stable configuration of the HPLC column can be assumed.
The correlation log k’/ log koc is accurate as calibration gave a coefficient of correlation near r2 = 0.965.
Under the normal chromatographic conditions, the test item peak showed a retention on the column around 26.75 min.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The adsorption / desorption coefficient of LCE08121 is equal to 4.42.
- Executive summary:
Determination of the adsorption / desorption coefficient of LCE08121
In compliance withOECD Guideline No. 121 (2001)
The objective of this study was to estimate the adsorption/desorption coefficient on soil and on sewage sludge using (HPLC) High Performance Liquid Chromatographyfollowing the test method (OECD Guideline No. 121, 2001).
Using this procedure, it was shown that the adsorption / desorption coefficient of LCE08121 is equal to 4.42.
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