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EC number: 821-762-8 | CAS number: 4563-56-8
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 10 Dec - 18 Dec 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- adopted in 2004
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- adopted in 2008
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Ministerium für Arbeit, Integration und Soziales des Landes Nordrhein-Westfalen, Düsseldorf, Germany
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Storage conditions: at room temperature; tightly closed; dry
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- >= 3.4 - <= 5.6
- Temp.:
- 25 °C
- pH:
- 6.95
Reference
Results
Table 1 – Summary of HPLC test item results
Sample |
tR1[min] |
tR2 [min] |
k’ |
log k’ |
log POW |
Test item |
3.00 |
|
1.564 |
0.194 |
3.289* |
11.83 |
|
9.111 |
0.960 |
5.601* |
|
Test item |
|
3.38 |
1.89 |
0.276 |
3.536* |
|
11.82 |
9.103 |
0.959 |
5.598* |
|
Mean value |
|
|
|
|
3.4 |
|
|
|
|
5.6 |
*interpolated from the linearized function of the calibration data
The test item was determined by double determination in 2 independent measurements. The test item resulted in an unresolved band, therefore upper and lower limits of log POWwere determined.
Discussion
The deviation of the log POWvalues of the test item (upper
limit) from the mean value fall within a range of ≤0.1 units as given by
the guideline. In case of the lower limit, the deviation is slightly
larger (0.12) but it resulted from a small difference of retention time
of 0.38 min. It was thus regarded as not relevant for the test
evaluation.
The reference item ‘Spindelöl R2’ (given by the study sponsor, used as solvent for zinc dialkyl dithiophosphate) was investigated in comparison to the test item. The components of this item eluted in the form of a broad distribution below the components of the test item. The compounds mounted onto this broad distribution were evaluated; in the range around 3 min ‘Spindelöl R2’ caused an unusual high fluctuation of the left limit of the Zn compound.
Conclusion
The partition coefficient of the test item at 25 °C was determined to be
log POW= 3.4 – 5.6.
Description of key information
log POW = 3.4 – 5.6 at 25 °C and pH 6.95 (OECD 117, HPLC Method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.4
- at the temperature of:
- 25 °C
Additional information
In the study of determination of partition coefficient, two peaks show in the HPLC chromatogram during the measurement of log Pow, which implies the complex structures of ZDDP: The monomeric or dimeric neutral forms together with the basic form are present in the substance. The basic form might be less water soluble than the neutral forms, therefore it might have a higher log Pow than the neutral forms. Based on this assumption it can be concluded that the log Pow value of 5.6 determined by HPLC belongs to the basic form of ZDDP, whereas the log Pow value of 3.4 is obtained because of neutral forms.
Because the basic form is a big size molecule (m.w. ca. 3072), it has low bioaccessibility and bioavailability. Although its log Pow is higher than 4.5, it is considered not relevant for the bioaccumulation. This is supported by the profilers in QSAR tool box: the basic form has a very slow bioaccumulation metabolism half-live.
Therefore the log Pow from neutral forms (3.4) is used as key value for the chemical safety assessment.
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