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Diss Factsheets
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EC number: 203-620-1 | CAS number: 108-83-8
- 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:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to same 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:
- soil/sewage sludge
- Specific details on test material used for the study:
- The Dow Chemical Company, Freeport, Texas (Lot# XA2355T643)
non-GLP certificate of analysis indicates purity of > 99% DIBK and DIBK isomers
Details on properties of test surrogate or analogue material (migrated information):
Reference substances applied as recommended in OECD 121. An additional reference subsance, acetophenone, was used to evaluate accuracy of the estimation method for a similar ketone substance. - Radiolabelling:
- no
- Test temperature:
- 25
- Details on study design: HPLC method:
- a calibration solution was prepared which contained the recommended reference substances, and this was analyzed in duplicate, followed by duplicate analyses of a standard solution of the test substance. Finally, the calibration solution was again analyzed in duplicate.
Retention times (tR) for each of the reference substances were determined based on for the HPLC assay was determined from duplicate analyses of a solution containing urea, a substance that is not retained on the HPLC column under the test conditions. Standard solutions of the test substance, prepared in methanol/water compositions similar to that of the HPLC eluents, were analyzed immediately following their preparation to avoid any possible degradation of the test substance. The concentrations of the test and reference substances were minimized to avoid the potential for overloading the HPLC column, yet allowing adequate sensitivity for detection in the HPLC assay. The DIBK concentrations in the analyzed standard solutions were approximately 118 and 189 mg/L in the Pow and Koc assays, respectively. Reference substance concentrations in the calibration solutions ranged from approximately 50 to 94.5 mg/L for both assays. To ensure the reproducibility of substance retention times in the HPLC assay, the HPLC columns were covered with foam insulation to minimize temperature changes. The air temperature next to the column was recorded during the analyses using a Lascar data logger. - Details on sampling:
- not applicable
- Details on matrix:
- not applicable
- Details on test conditions:
- The HPLC column was jacketed with insulating foam to minimize fluctuation in its temperature during the separation of the reference and test substances. The average air temperatures near the HPLC column during the Koc assay was 24.4 ± 0.5°C. Therefore, temperature fluctuations were not expected to have influenced the precision of the HPLC-estimated values for Koc.
- Computational methods:
- The HPLC capacity factors (k’) for the reference and test substances in the HPLC assay was determined from the retention times for the compounds (tR) and the dead time (to) for the HPLC column using the following formula:
k’ = (tR-to)/to (Note: tR and to were recorded in minutes)
The dead time (to) for the HPLC assay is the average time for a non-retained solvent molecule to pass through the HPLC system. The log k’ data for the reference substances were plotted against their measured log Koc values, and the least-squares linear regression line for this relationship was determined. The estimated log Koc value for the test substance was determined from its measured capacity factor using the equation for the fitted regression line. - Type:
- log Koc
- Value:
- 2.07 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: % org. carbon not applicable to HPLC method
- Details on results (HPLC method):
- The Log Koc value for DIBK was estimated based on its chromatographic retention time in a standard HPLC assay following the OECD 121 guideline. The test substance eluted as a single chromatographic peak, having a retention time of 3.03 minutes, which correlates to an estimated log Koc of 2.07.
- Adsorption and desorption constants:
- not applicable
- Recovery of test material:
- not applicable
- Concentration of test substance at end of adsorption equilibration period:
- not applicable
- Concentration of test substance at end of desorption equilibration period:
- not applicable
- Details on results (Batch equilibrium method):
- not applicable
- Statistics:
- not applicable
- Validity criteria fulfilled:
- yes
- Conclusions:
- The Log Koc value for DIBK was estimated based on its chromatographic retention time in a standard HPLC assay following the OECD 121 guideline. The test substance eluted as a single chromatographic peak, having a retention time of 3.03 minutes, which correlates to an estimated log Koc of 2.07. The substance does not have a high affinity for adsorption to organic matter of sewage sludge, soil, or sediments.
- Executive summary:
The Log Koc value for DIBK was estimated based on its chromatographic retention time in a standard HPLC assay following the OECD 121 guideline. The test substance eluted as a single chromatographic peak, having a retention time of 3.03 minutes, which correlates to an estimated log Koc of 2.07. The substance does not have a high affinity for adsorption to organic matter of sewage sludge, soil, or sediments.
Reference
The OECD Guideline 121 states that, by using this method, the adsorption coefficient of a test substance can be estimated to within ± 0.5 log units of the value determined by the batch equilibrium method. Higher accuracy may be achieved if the reference substances used are structurally related to the test substance. The accuracy of this HPLC assay in estimating log Koc of DIBK and related substances was demonstrated through analysis of an additional reference substance (acetophenone). The analysis of acetophenone
provided a chromatographic peak with a retention time of 2.85 minutes and an associated log Koc of 1.81. The measured Koc for acetophenone is 1.80 (Meylan et al., 1992). These results indicate that the standard HPLC assay provides accurate estimations of Koc for this family of compounds (ketones), which is within the predictive accuracy reported by OECD (± 0.5 log Koc units).
Description of key information
The estimated organic carbon-normalized adsorption coefficient (log Koc) is 2.07, which indicates a low potential for adsorption to and accumulation in sewage sludge, soil, and aquatic sediments.
Key value for chemical safety assessment
- Koc at 20 °C:
- 117
Additional information
The Log Koc value for DIBK was estimated based on its chromatographic retention time in a standard HPLC assay following the OECD 121 guideline. The test substance eluted as a single chromatographic peak, having a retention time of 3.03 minutes, which correlates to an estimated log Koc of 2.07. The predicted log Koc of 2.07 indicates a low potential for adsorption to, and accumulation in, sewage sludge, soil, and aquatic sediments. This potential for adsorption and accumulation is further reduced by the potential for rapid and complete biodegradation of the readily biodegradable substance.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.