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EC number: 402-130-7 | CAS number: 106246-33-7
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 1996
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- according to guideline
- Guideline:
- other: Estimation using well accepted calculation methods incl. computer modeling: 1) Kenaga and Goring correlation (1980); 2) Hodson and Williams correlation; 3) Computer calculation using PCKOC, Version 1.21, Syracuse Research Corporation 4) RA TGD
- Deviations:
- not applicable
- GLP compliance:
- no
- Type of method:
- other: Estimation using well accepted calculation methods incl. computer modeling
- Media:
- soil
- Radiolabelling:
- no
- Test temperature:
- Koc was calculated
- Details on study design: HPLC method:
- Koc was calculated
- Computational methods:
- Computer calculation using PCKOC, Version 1.21, Syracuse Research Corporation
- Key result
- Type:
- log Koc
- Value:
- 4.29 dimensionless
- Temp.:
- 20 °C
- Remarks on result:
- other: value calculated according to RA TGD (request of UK c.a.)
- Key result
- Type:
- Koc
- Value:
- 19 500 dimensionless
- Temp.:
- 20 °C
- Remarks on result:
- other: value calculated according to RA TGD (request of UK c.a.)
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The log Koc was calculated to be 4.29.
- Executive summary:
The calculations were performed in 1996/1997 using several estimation methods. An experimental test was technically not feasible due to insufficient solubility. On request of the c.a. of the lead notification country, the Koc value was also calculated according to the Combined RA Technical Guidance Document, obtaining a Koc of 19500 / Log Koc 4.29.
- Endpoint:
- adsorption / desorption: screening
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Justification for type of information:
- JUSTIFICATION FOR DATA WAIVING
The study could not be conducted due to the very low water solubility of the test item; high performance liquid chromatographic and gas chromatographic were investigated as analytical methods but neither could provide the precision required (low concentrations were dictated for the test by the poor aqueous solubility of P5367). Therefore, a test acc. OECD-method was technicallly not feasible. Therefore, the Koc was calculated.
Referenceopen allclose all
The value of Koc can be estimated by various means, some of which require the input of a figure for the partition coefficient. A value of LogP = 6.28 was used for the calculation. Three such estimations are presented below, two from log Koc / Log Pow correlations and one from a computer calculated group contribution method.
1) Kenaga and Goring correlation (1980)
log Koc = 0.544 log Pow + 1.377
substituting log Pow = 6.28,
log Koc = 4. 79 or Koc = 6.2 x 104
2) Hodson and Williams correlation (1988)
log Koc = 0.827 log Pow + 0.292
substituting log Pow = 6.28,
log Koc = 5.49 or Koc = 3.1 x 10E5
3) Computer calculation using PCKOC, Version 1.21, Syracuse Research Corporation
log Koc = 6.17 or Koc = 1.5 x 10E6
The mean of the three values determined above produces Koc = 6.2 x 10E5
According to the 1987 FDA Environmental Assessment Technical Assistance Handbook, compounds with Koc values > 100 are considered to be moderately to highly mobile in soil, whereas those with values around 1000 are quite tightly bound to organic matter in soil. Therefore, as all the above estimates of Koc, are well above 1000, P5367 would be expected to be tightly bound to organic matter in soil, and hence immobile. It should be noted however, that these estimations assume that the molecule is not ionised.
On request of the UK c.a. (Environment Agency) in 1997, the Koc was also calculated according to the combined RA TGD of 1997. Therefore, the equations applicable are for 'non-hydrophobics', which is a general equation (the name is misleading), or the equation for anilines. The valid range of the latter equation is up to log Kow = 5, and therefore cannot be used in this case. Hence, using the 'non-hydrophobics' equation, the following result is obtained::
log Koc = (0.52 x 6.28) + 1.02 = 4.29
This is the final value used for environmental risk assessment.
Description of key information
Adsorption/desorption (screening):
The study could not be conducted due to the very low water solubility of the test item; high performance liquid chromatography and gas chromatography were investigated as analytical methods but neither could provide the precision required (low concentrations were dictated for the test by the poor aqueous solubility of P5367). Therefore, a test acc ording to the OECD-method was technicallly not feasible. Therefore, the Koc was calculated.
Soil adsorption coefficient:
The calculations were performed in 1996/1997 using several estimation methods. An experimental test was technically not feasible due to insufficient solubility. On request of the c.a. of the lead notification country, the Koc value was also calculated according to the Combined RA Technical Guidance Document, obtaining a Koc of 19500 / Log Koc 4.29.
Key value for chemical safety assessment
- Koc at 20 °C:
- 19 500
Additional information
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