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EC number: 451-000-6 | 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 004
- Report date:
- 2004
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Qualifier:
- according to guideline
- Guideline:
- other: Rekker calculation method (Pow)
- Principles of method if other than guideline:
- The Rekker calculation method was performed for a preliminary estimation of the partition coefficient (n-octanol/water), Pow. Although the calculation method yielded a log Pow value >6 which is out of the applicability range of the HPLC method, the HPLC method was used to confirm the result of the calculation method.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- benzene, 1,4-bis[2-[3,5-dimethoxy-4-(1- methylpropoxy)phenyl]ethenyl]-
- Cas Number:
- 586410-55-1
- Molecular formula:
- C34 H42 O6
- IUPAC Name:
- benzene, 1,4-bis[2-[3,5-dimethoxy-4-(1- methylpropoxy)phenyl]ethenyl]-
- Details on test material:
- Read-across from CASRN586410-55-1 to the substance defined in section 1 allowed by belgian authority.
Stocksolutions for the HPLC method:
A 1254mg/l stock solution of the test substance was prepared in acetonitrile. The test solution was prepared by diluting the stock solution by a factor of 100 with mobile phase. This resulted in final concentration of 12.5mg/l. The test substance blank solution was prepared by adding 50µl acetonitrile to a 5.0ml volumetric flask. This flask was subsequently fileld up to the mark with mobile phase.
A 1008mg/l solutionof 2,4-DDT in methanol (HPLC grade) was diluted by a factor of 200 with mobile phase. This solution was used as the reference solution. The corresponding blank solution was prepared by adding 50µl methanol to a 10.0ml volumetric flask. This flask was subsequently filled up to the mark with mobile phase.
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- > 12
- Remarks on result:
- other: Rekker calculation method
- Details on results:
- - Calculation of the dissociation constant (pKa): from the structural formula, no pKa values were calculated using the Perrin's calculation method. At neutral pH, >90% of the test substance is in a non-ionised form. Therefore, the aqueous part of the mobile phase during the HPLC method was not buffered.
- Calculation of the Pow: log Pow=12.0
- HPLC method: One large test subtance peak and one small test substance peak were observed at retention times of 18.1 and 17.5 minutes respectively, while the retention time of 2,4-DDT (log Pow=6.2) was 10.0 minutes. Hence, it was concluded that the log Pow of the test substance >6.2.Althoug the results of the calculation method and the HPLC were in agreement, the result of the calculation method is reported above because Pow of the test substance was out of the applicability range of the HPLC method.
Applicant's summary and conclusion
- Conclusions:
- Due to the above mentioned high log Pow (>4), the low water solubility (<1mg/l), the 48EC50 and 72LC50 which might both be >100mg/l and the non-readily biodegradability, the substance should be classified for 'chronic aquatic toxicity' (DSD: R53, CLP: cat.4).
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