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Diss Factsheets
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EC number: 701-407-2 | CAS number: -
- 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:
- 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))
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- soil
- Radiolabelling:
- no
- Details on study design: HPLC method:
- Reference substance solutions
A stock solution of the reference substance 4,4’-DDT at a concentration of 1108 mg/L in methanol was
used. The stock solution was diluted to obtain an end solution of 55/45 (v/v) methanol/0.1 M
phosphate buffer pH 7.
The blank solution for the mixture of reference substances was 55/45 (v/v) methanol/0.1 M
phosphate buffer pH 7.
Test solution
A 1000 mg/L stock solution of the test item was prepared in methanol. The stock solution
was was diluted to obtain an end solution of 55/45 (v/v) methanol/0.1 M phosphate buffer
pH 7. The final concentration of the test item solution was 140 mg/L.
The test item blank solution was was diluted to obtain an end solution of 55/45 (v/v) methanol/0.1 M phosphate buffer pH 7.
Injections
The reference substance and test item solutions were injected in duplicate. Blank solutions
were analysed by single injection.
According to the guidelines, the determination of the Koc for test items that are ionized for at least 10% within pH 5.5 to 7.5 should be performed with both the ionized and non-ionized
form. Therefore, the pKa values of the test item were calculated using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International San Francisco, CA,
USA). Based on the calculations, the HPLC method was performed at pH 7.
Solutions of one reference substance based on soil adsorption data and the test item were analysed. Based on the retention times of the compounds the Koc and log Koc values of the
test item were determined. - Sample No.:
- #1
- Type:
- Koc
- Value:
- > 430 000 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- > 5.63 dimensionless
- pH:
- 7
- Temp.:
- 35 °C
- Sample No.:
- #1
- Phase system:
- soil-water
- Type:
- Kp
- Value:
- > 9.75 - < 11.02 dimensionless
- Temp.:
- 35
- pH:
- 7
- Details on results (HPLC method):
- Calculation of pKa values
The following pKa values in the logarithm range of 1 - 14 for acidic and basic groups in the molecular structure of the test item were calculated using the Perrin calculation method:
Basic
RNH3+ pKa 11.02
RNH3+ pKa 10.41
RRNH2+ pKa 10.35
RRNH2+ pKa 9.75
Determination of the Koc
UPLC-UV chromatograms of the test item solution and the corresponding blank are shown in Figure 4. In the chromatogram of the test item solution, a cluster of peaks with a retention time from 26.0 to 28.0 minutes was observed.
Under the same analytical conditions, the retention time of 4,4’-DDT (log Koc = 5.63) was 7.2 minutes. Hence, it was concluded that the log Koc of test item was > 5.63 (Koc > 4.27x10over5). - Validity criteria fulfilled:
- yes
- Conclusions:
- The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of PACM BADGE adduct.
The Koc and log Koc value of the test item at pH 7 was Koc >4.3x10^5 and log Koc > 5.63. - Executive summary:
The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of PACM BADGE adduct.
The Koc and log Koc value of the test item at pH 7 was Koc >4.3x10^5 and log Koc > 5.63.
Reference
Description of key information
The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of PACM BADGE adduct.
The Koc and log Koc value of the test item at pH 7 was Koc >4.3x10^5 and log Koc > 5.63.
Key value for chemical safety assessment
- Koc at 20 °C:
- 430 000
Additional information
[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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