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EC number: 293-766-2 | CAS number: 91082-52-9
- 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
- Reliability:
- 2 (reliable with restrictions)
- 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
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Radiolabelling:
- no
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: Thermo Scientific Dionex
- Type: HPLC
- Type, material and dimension of analytical (guard) column: Zorbax CN, 250 x 4.6 mm, 5 µm, Agilent Technologies
- Detection system: UV detector
MOBILE PHASES
- Type: acetonitrile : water (25:75, v:v)
- Solutes for dissolving test and reference substances: acetonitrile, water
DETERMINATION OF DEAD TIME
- Method: by inert substance formamide which was not retained by the column
REFERENCE SUBSTANCES
- Identity: Acetanilide, atrazine, isoproturon, linuron, phenol, triadimenol A
DETERMINATION OF RETENTION TIMES
- Quantity of test substance introduced in the column: a solution of the test substance in acetonitrile:water (25:75, v:v) with a concentration of 200.0 µg/mL was prepared, and the test substance was injected twice (injection volume 50 µL)
- Quantity of reference substances: reference compound solutions were prepared in acetonitrile:water (25:75, v:v) at nominal concentrations of 200 µg/mL (formamide), 10 µg/mL (acetanilide), 10 µg/mL (atrazine), 40 µg/mL (isoproturon), 20 µg/mL (linuron), 10 µg/mL (phenol) and 50 µg/mL (triadimenol A), and each reference substance was injected twice (injection volume 50 µL)
- Intervals of calibration: 1.25 to 2.59 for log Koc values
REPETITIONS
- Number of determinations: 2
EVALUATION
- Calculation of capacity factors k': k'=(tr - t0)/t0, where tr is the retention time of the reference compound, t0 is the dead time of column
- Calculation of retention times: retention time in UV-detector of each injection (minutes)
- Determination of the log Koc value: following chromatography using acetonitrile:water (25:75, v:v) as mobile phase, a correlation graph was produced by plotting the log k' value versus the log Koc value for each reference compound. Literature log Koc values were obtained from OECD guideline 121. A log Koc value for the test substance was then extrapolated from the correlation graph. - Sample No.:
- #1
- Type:
- Koc
- Value:
- < 18 dimensionless
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: see Table in "Any other information on results"
- Details of fitted regression line (log k' vs. log Koc): obtained equation is y = 0.7116x - 0.7065 (R2 = 0.9542)
- Average retention data for test substance: two peaks were observed for the test substance with average retention times of 5.24 and 6.62 minutes - Validity criteria fulfilled:
- yes
- Conclusions:
- The retention times of both peaks detected for CA3490A were shorter compared to the retention times of all the reference substances used, which means that CA3490A is outside of the calibration range of the recommended reference compounds. The method for the estimation of the adsorption coefficient by HPLC was not suitable for the test item CA3490A since the test item has a log KOC value < 1.25 (i.e. KOC < 18).
- Executive summary:
The adsorption coefficients (KOC) of the substance were estimated using the retention time of the test item measured by HPLC in accordance with OECD TG 121 and under GLP.
Two significant peaks were observed for the substance eluting at retention times of 5.2 minutes and 6.6 minutes. Since the test substance is a complex mixture it is credible that several peaks are observed. The retention times of both peaks detected for the substance were shorter compared to the retention times of all the reference substances used, but it was more retained than formamide used to determine the dead time of the column. The reference substances included acetanilide and phenol which have the lowest log k’ values and log KOC values listed in the OECD guideline 121. This means that the retention time of the test substance is below retention times within the calibration range of the recommended reference compounds. For this reason, the adsorption coefficient of the substance can be specified to be log KOC < 1.25 and KOC < 18, log KOC of 1.25 being the log KOC of acetanilide, lowest log KOC in the calibration.
Reference
Table 1: HPLC retention times and Koc values of reference substances and test substance
Reference Items |
Log KOC |
Mean rt (min) |
Formamide |
(t0) |
3.15 |
Acetanilide |
1.25 |
7.42 |
Phenol |
1.32 |
8.12 |
Atrazine |
1.81 |
14.98 |
Isoproturon |
1.86 |
22.23 |
Triadimenol A |
2.40 |
34.92 |
Linuron |
2.59 |
39.80 |
Test substance |
< 1.25 |
5.24 |
Test substance |
< 1.25 |
6.62 |
Description of key information
The adsorption coefficients (Koc) of CA3490A were estimated using the retention time of the test item measured by HPLC. The retention times of both peaks detected for CA3490A were shorter compared to the retention times of all the reference substances used, which means that CA3490A is outside of the calibration range of the recommended reference compounds. The method for the estimation of the adsorption coefficient by HPLC was not suitable for the test item CA3490A since the test item has a log KOC value < 1.25 (i.e. KOC < 18). However, CA3490A can be classified as “highly” mobile. The value of 18 L/kg will be used for the KOC will be used in the chemical safety assessment.
Key value for chemical safety assessment
Additional information
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