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EC number: 237-580-1 | CAS number: 13846-31-6
- 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:
- Estimation of the Adsorption Coefficient (Koc) of MDAC
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 April 2018 to 18 April 2018 (Experimental start to experimental completion)
- 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
- 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)
- Type of method:
- HPLC estimation method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Test item : MDAC (Diallyl hexahydrophthalate)
- Source.of test material: Osaka Soda Co., Ltd. Japan
- Lot/batch No.of test material: 40201
- Expiration date of the lot/batch:26 January 2019
- Purity test date: 26 September 2017
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Controlled room temperature, protected from light
- Stability under test conditions: Assumed stable for the duration of the test
- Solubility and stability of the test substance in the solvent/vehicle: Not relevant
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: not relevant
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: Not relavent - Radiolabelling:
- no
- Test temperature:
- HPLC Conditions: Temperature 25°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC system: Knauer Azura HPLC-UV
Balance: Sartorius BP221S
Ultrasonic bath: ELMA Elmasonic S300
Water purification system: Millipore, Direct-Q 8 UV
Refrigerator: Zanussi
- HPLC Conditions (type, material and dimension of analytical column):
Column: ACE 5 CN 250 × 4.6 mm, 5 μm
Mobil Phase: Acetonitrile : ultrapure water (ASTM Type I, prepared by Direct-Q 8 UV system, Millipore) . Ratio 6 : 4
Flow: 1 mL/min
Detector (UV): 210 nm
Injection volume: 20 μL
Temperature: 25°C
- Detection system: High performance liquid chromatography (HPLC), method applicable for substances,which have log Koc value ranging from about 0 to 6.
MOBILE PHASES
- Type: Acetonitrile (Super gradient, VWR, Batch No.: 17L121524) : ultrapure water = 6 : 4
- Experiments with additives carried out on separate columns: no
- pH: Not specified
- Solutes for dissolving test and reference substances: Sodium nitrate (Cas# 7631-99-4) dissolved with eluent at ca. 1 mg/mL. Reference substance and test item dissolved in Acetnitrile at ca. 1 mg/mL. The reference stock solutions were diluted with eluent resulting about 10μg/mL solution, the sodium nitrate and the test item solution were diluted with eluent to about 100 μg/mL.
DETERMINATION OF DEAD TIME
- Method: Dead time, t0 was determined by the injection of sodium nitrate solution.
REFERENCE SUBSTANCES
- Identity:
Chemical name CAS number log Koc Purity (%) Batch No.
Sodium nitrate 7631-99-4 t0 100.1 17H114112
Acetanilide 103-84-4 1.25 99.9 S6921344
Methyl benzoate 93-58-3 1.80 99.7 S6046630
Isoproturon 34123-59-6 1.86 99.8 SZBD221XV
Linuron 330-55-2 2.59 99.7 SZBD038XV
Naphthalene 91-20-3 2.75 99.8 10187351
α-Endosulfan 959-98-8 4.09 99.8 BCBS8631
DDT 50-29-3 5.63 98.7 SZBE057XV
DETERMINATION OF RETENTION TIMES
Three series of the above reference solutions and the test item solution were measured alternately, with two replicate injections.
For the determination of t0 (t0 = retention time of the unretarded component) sodium nitrate solution was injected.
The retention times were determined.
- Quantity of test substance introduced in the column: Not specified
- Quantity of reference substances: Not specified
- Intervals of calibration:
REPETITIONS
- Number of determinations: Three series of the above reference solutions and the test item solution were measuredalternately, with two replicate injections.
EVALUATION
- Calculation of capacity factors k': The capacity factors, k were calculated from the retention times (tR) of the selected
reference substances and the dead time (t0):
k = tR − t0
------------
t0
A calibration plot of log k versus log Koc was prepared. (See Figure 1.) The calibrationequation was determined by linear regression using the least squares method.
Repeatability is the difference of maximum and minimum values of log Koc derived from individual measurements.
Accuracy is the difference between the estimated log Koc and the log Koc value determined by the batch equilibrium method.
- Calculation of retention times:
Three series of the above reference solutions and the test item solution were measured alternately, with two replicate injections. For the determination of t0 (t0 = retention time of the unretarded component) sodium nitrate solution was injected.
The retention times were determined.
- Determination of the log Koc value:
The three calibration series and three test item series were measured alternately. The adsorption coefficient Koc was determined based on a calibration curve using 7 reference items. The capacity factors were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Koc values. The equation of the curve fitted to the calibration points. - Analytical monitoring:
- no
- Key result
- Type:
- log Koc
- Value:
- 2.89 dimensionless
- Temp.:
- 25 °C
- Details on results (HPLC method):
- - Retention times of reference substances used for calibration: See below
- Details of fitted regression line (log k' vs. log Koc):
The three calibration series and three test item series were measured alternately. The adsorption coefficient Koc was determined based on a calibration curve using 7 reference items.
The capacity factors were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Koc values. The equation of the curve fitted to the calibration points is as follows: log k = 0.1016 × log Koc – 0.1481 (R2= 0.9800)
- Graph of regression line attached: No
- Average retention data for test substance: See below.
Chemical log Koc from OECD 121 Retention time (min) log k Calc) log Koc (Calc) Repeatability ΔlogKoc Accuracy log unit
Sodium nitrate - Mean 1.83 ---------- for determination of dead time ---------
Acetanilide 1.25 Mean 3.44 -0.054 0.92 0.03 0.33
Methyl benzoate 1.80 Mean 3.87 0.048 1.93 0.04 0.13
Isoproturon 1.86 Mean 3.84 0.042 1.87 0.02 0.01
Linuron 2.59 Mean 4.19 0.111 2.55 0.02 0.04
Naphthalene 2.75 Mean 4.44 0.155 2.98 0.03 0.23
α-Endosulfan 4.09 Mean 5.40 0.291 4.32 0.02 0.23
DDT 5.63 Mean 6.42 0.400 5.40 0.01 0.23
MDAC (test item) - Mean 4.39 0.146 2.89 0.017
- Validity criteria fulfilled:
- yes
- Conclusions:
- Based on the chromatograms, one peak was detected from the test item at 4.39 min retention time. Based on the calibration, the log Koc of MDAC is to estimated 2.89 ± 0.010
(with 95% confidence interval).
Reference
Description of key information
Based on the calibration, the log Koc of MDAC is to estimated 2.89 ± 0.010 (with 95% confidence interval).
Key value for chemical safety assessment
- Koc at 20 °C:
- 776
Additional information
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