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EC number: 268-596-7 | CAS number: 68130-53-0
- 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:
- 08 July 2010- 30 July 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: This study has been performed according to OECD and EC guidelines and according to GLP principles.
- 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
- Media:
- other: soil-adsorption-reference data
- Radiolabelling:
- not specified
- Details on study design: HPLC method:
- Performance of the study
The principle of the test method is similar to that of the OECD guideline no. 117: "Partition coefficient (n-octanol/water), high performance liquid chromatography (HPLC) method". While passing through the column along with the mobile phase the test substance interacts with the stationary phase. As a result of partitioning between mobile and stationary phases, the test substance is retarded. The dual composition of a cyanopropyl stationary phase, having polar and non-polar sites allows for interaction of polar and non-polar groups of a molecule in a similar way as is the case for organic matter in soil or sewage sludge matrices. This enables the relationship between the retention time on the column and the Koc on organic matter to be established.
Solutions of one reference substance and the test substance were analysed. Based on the retention times of the compounds the Koc and log Koc values of the test substance were determined.
Analytical conditions
Instrument: Alliance Separation Module 2695 (Waters, Milford, MA, USA)
Detector: Dual λ Absorbance Detector 2487 (Waters)
Column: Hypersil BDS-CN, 150 mm x 4.6 mm i.d., dp = 5 µm (Thermo Fisher Scientific, Waltham, MA, USA)
Column temperature: 35°C +/- 1°C
Mobile phase:
A – 55/45 (v/v) methanol/water
B – methanol
Gradient:
0 min, 100%A, 0%B
8 min, 100%A, 0%B
9 min, 0%A, 100%B
15 min, 0%A, 100%B
16 min, 100%A, 0%B
23 min, 100%A, 0%B
Flow: 1 ml/min
Injection volume: 10 µl
UV detection: 210 nm
Preparation of the solutions
Reference substance solution: A stock solution of reference substance (2,4-DDT, 97.2%, Supelco, log Koc=5.63) at a concentration of approximately 1 g/l in methanol was used. The blank solution for the reference substance was methanol.
Test solution: A 1075 mg/l stock solution of the test substance was prepared in methanol. The test substance blank solution was methanol.
Injections
The reference substance and test substance solutions were injected in duplicate. Blank solutions were analysed by single injection. - Key result
- Type:
- log Koc
- Value:
- > 5.63
- Temp.:
- 35 °C
- Details on results (HPLC method):
- Results
Calculation of pKa values
No pKa values for acidic and basic groups in the molecular structure of the test substance in the logarithm range of 1 – 14 were calculated.
Determination of the Koc
In the chromatogram of the test substance solution, one peak with a retention time of 11.7 minutes was observed. Under the same analytical conditions, the retention time of 2,4-DDT (log Koc = 5.63) was 5.0 minutes. Hence, it was concluded that the log Koc of the test substance was > 5.63 (Koc > 4.27 x 10E5).
Since a gradient to 100% methanol was required to elute the test substance from the analytical column, extrapolation of the Koc was not possible. - Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was chosen for the determination of the adsorption coefficient of Decanoic acid, mixed esters with heptanoic acid, octanoic acid and trimethylolpropane.
The Koc and log Koc value of the test substance was > 5.63 (Koc > 4.27 x 10E5).
Reference
Description of key information
Determined in accordance with OECD Guideline 121.
Key value for chemical safety assessment
- Koc at 20 °C:
- 426 579
Additional information
The adsorption/desorption coefficient Koc of the substance was determined to be > 426579 (log Koc > 5.63).
[LogKoc: 5.63]
[LogKoc: 5.63]
[LogKoc: 5.63]
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.
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