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EC number: 410-610-2 | CAS number: 111850-24-9 MORTRACE SB CONC.
- 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:
- 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted under GLP
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other 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
- Principles of method if other than guideline:
- N/A
- GLP compliance:
- yes
- Type of method:
- HPLC estimation method
- Media:
- other: ultrapure water
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
N/A - Radiolabelling:
- no
- Test temperature:
- 30°C
- Details on study design: HPLC method:
- EQUIPMENT
- Apparatus: HPLC System
- Type: Agilent 1290 Series
- Type, material and dimension of analytical (guard) column: Agilent ZORBAX SB-CN; 4.6 x 100 mm; 1.8-micron
packing
- Detection system: G4212A Diode Array Detector (at 210 nm)
MOBILE PHASES
- Type: methanol/water (55%/45%; v/v)
- Solutes for dissolving test and reference substances: methanol followed by secondary dilutions in methanol/water (55%/45%; v/v)
DETERMINATION OF DEAD TIME
-Method: analysis of Urea which is not retained by the column
REFERENCE SUBSTANCES
- Identity: acetanilide, methyl benzoate, naphthalene, 1,2,3-trichlorobenzene,
phenanthrene and DDT
REPETITIONS
- Number of determinations: 2
EVALUATION
- Calculation of capacity factors k': k’ = (tR-to)/to
- Calculation of retention times: per Agilent integration software
- Determination of the log Koc value: The log Koc data for the reference materials were plotted against their associated log k’
values and a linear regression line was determined. Estimated log Koc values for the test
material were determined from its measured capacity factor using the equation for the
linear regression line. - Details on sampling:
- N/A
- Details on matrix:
- N/A
- Details on test conditions:
- N/A
- Computational methods:
- N/A
- Type:
- log Koc
- Value:
- > 5.63
- Temp.:
- 30 °C
- Details on results (HPLC method):
- - Retention times (min.) of reference substances used for calibration:
Acetanilide: Std 1 (1.294, 1.294), Std 2 (1.296, 1.294)
Methyl Benzoate: Std 1 (1.637, 1.638), Std 2 (1.639, 1.641)
Napthalene: Std 1 (2.364, 2.365), Std 2 (2.367, 2.368)
123 TCB: Std 1 (3.087, 3.091), Std 2 (3.091, 3.092)
Phenathrene: Std 1 (4.904, 4.906), Std 2 (4.904, 4.905)
DDT: Std 1 (13.397, 13.333), Std 2 (13.400, 13.335)
- Details of fitted regression line (log k' vs. log Koc): y = 2.9853x + 2.1266, R² = 0.9952
- Average retention data for test substance: >13.4 minutes - Adsorption and desorption constants:
- N/A
- Recovery of test material:
- N/A
- Concentration of test substance at end of adsorption equilibration period:
- N/A
- Concentration of test substance at end of desorption equilibration period:
- N/A
- Details on results (Batch equilibrium method):
- N/A
- Statistics:
- N/A
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- In the defined HPLC assay of OECD Guideline 121, no clear chromatographic peak for
the test material was observed under the specified elution conditions. Additional analyses
were performed using an eluent containing a higher organic solvent (methanol)
concentration and showed that MORTRACE™ SB Conc has a log Koc value of > 5.63
(i.e., the highest log Koc value from among the reference materials). This result is
consistent with an estimate based on correlation of estimated log Kow and log Koc values
(KOCWIN v2.00) which gives a log Koc value of 5.8. The MORTRACE™ SB Conc is
therefore concluded to have very high affinity for partitioning from water to organic
matter associated with soil, sediment, and activated sludge biosolids. - Executive summary:
The soil adsorption coefficient (Koc) for MORTRACE™ SB Conc was estimated using the OECD Guideline 121: “Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC).” This method compares the retention time of the test material in a defined HPLC assay to the retention times of a series of reference materials with known Koc values. The reference materials included acetanilide, methyl benzoate, naphthalene, 1,2,3-trichlorobenzene, phenanthrene, and DDT. The HPLC capacity factors (k’) for the test and reference materials were derived from their retention times, as corrected for the dead volume in the HPLC column. The log Koc values of the reference materials were plotted against their corresponding log k’ values and a linear regression line was obtained. The Koc of the test material was then estimated from its measured HPLC capacity factor k’ using the equation for the regression line (log Koc vs. log k’). In the guideline-defined HPLC assay, no chromatographic peak for the test material was observed under the specified elution conditions. Additional analyses were performed using an eluent containing a higher organic solvent (methanol) concentration, which showed that MORTRACE™ SB Conc has a log Koc value of >5.63 (i.e., the highest log Koc value from among the reference materials). Therefore, the substance can be concluded to have a high affinity for partitioning from water to organic carbon associated with soil, sediment, and activated sludge biosolids.
Reference
N/A
Description of key information
Based on the experimental data, the log Koc for Mortace SB Conc was determined to be >5.63.
Key value for chemical safety assessment
- Koc at 20 °C:
- 426 580
Additional information
The soil adsorption coefficient (Koc) for MORTRACE™ SB Conc was estimated using the OECD Guideline 121: “Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC).” This method compares the retention time of the test material in a defined HPLC assay to the retention times of a series of reference materials with known Koc values. The reference materials included acetanilide, methyl benzoate, naphthalene, 1,2,3-trichlorobenzene, phenanthrene, and DDT. The HPLC capacity factors (k’) for the test and reference materials were derived from their retention times, as corrected for the dead volume in the HPLC column. The log Koc values of the reference materials were plotted against their corresponding log k’ values and a linear regression line was obtained. The Koc of the test material was then estimated from its measured HPLC capacity factor k’ using the equation for the regression line (log Koc vs. log k’). In the guideline-defined HPLC assay, no chromatographic peak for the test material was observed under the specified elution conditions. Additional analyses were performed using an eluent containing a higher organic solvent (methanol) concentration, which showed that MORTRACE™ SB Conc has a log Koc value of >5.63 (i.e., the highest log Koc value from among the reference materials). Therefore, the substance can be concluded to have a high affinity for partitioning from water to organic carbon associated with soil, sediment, and activated sludge biosolids.
This experimentally derived Log Koc is consistent with that predicted using the QSAR algorithm implemented in KOCWIN v. 2.00 a module of the Epi Suite program (U.S. Environmental Protection Agency, 2000-2011). The predicted values for Log Kocbased on the MCI and Log Kowmethods were 5.81 and 5.28, respectively. There was slightly better performance of the analogues in the Log Kowmodel; therefore, preference was given to the value calculated with the Log Kowmodel (i.e.Log Koc= 5.28).
Confidence intervals were derived based on the error histogram provided by the developer that indicated that 95% of the substances in the training dataset were predicted within +/- 0.7 units of the experimental error.
[LogKoc: 5.63]
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