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EC number: 294-785-9 | CAS number: 91770-03-5
- 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:
- 10-01-2012 to 23-04-22012
- 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- > 9.4
- Temp.:
- 40 °C
- pH:
- 6.8
- Details on results:
- See Appendix I attached.
- Conclusions:
- The partition coefficient of the test item has been determined to be >2.51E09, Log Pow > 9.4 and by extrapolation of the calibration curve using the mean retention time of 85.174 minutes, the log Pow is > 11.7.
- Executive summary:
Test Guidance
OECD Guideline No. 117 and EU Method A.8
Method and materials
The study was performed using the HPLC method.
Results
The result for the test item was taken as a limit value based on the next highest reference standard the highest reference standard had a high error attached to the recorded Log Pow. The calculated Log Pow as used for the preliminary value (Log Pow = 16.6) showed that a very high result was expected. By extrapolation of the calibration curve using the mean retention time of 85.174 minutes, the log Pow is > 11.7. This result is a greater than value because the test item ws eluted using a gradient, retention would have been longer under just isocratic conditions.
Conclusion
The partition coefficient of the test item has been determined to be > 2.51E09, Log Pow > 9.4 and by extrapolation of the calibration curve using the mean retention time of 85.174 minutes, the log Pow is > 11.7.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 1998-06-08 to 1998-06-25
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- restriction as failed to report Log Kow range
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 1998-07-21
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- > 6.2
- Temp.:
- 40 °C
- pH:
- 6.6
- Details on results:
- information supplied by the sponsor shows that the test material consists of a complex reaction mixture. Therefore, it is possible that the two minor components eluting at retention times of approximately 4 and 20 minutes could be either unreacted starting materials, by products or unreacted intermediate products present in the test material. It was evident from the sample chromatography that the majority of the test material components elute at a retention time greater than that of the DDT reference standard, therefore the results have been expressed as greater than the log Pow of DDT (> 6.2).
- Conclusions:
- The partition coefficient has been determined to be greater than 1.58E06, log,, Pow >6.2.
- Executive summary:
Test Guidance
HPLC Method, Method A8 of Commission Directive 92/69/EEC
Method and material
Preparation of sample solution
An aliquot (0.1 163 g) of test material was diluted to 100 ml with methanol
Preparation of reference solutions
The dead time was determined by measuring the retention time of thiourea, purity 98%, 22 mg/l solution, in methanol.
Determination of retention time
The sample, thiourea and reference standard solutions were injected in duplicate into the HPLC system. A calibration curve was constructed from the retention time data of the thiourea and reference standard solutions. The capacity factors (k) for the reference standards were calculated and Log Pow values of the reference standards were taken from the guideline.
The capacity factor of the sample was calculated in the same manner as those of the references and the log Pow value determined with reference to the calibration curve.
Result
It was evident from the sample chromatography that the majority of the test material components elute at a retention time greater than that of the DDT reference standard, therefore the results have been expressed as greater than the log Pow of DDT (>6.2).
Conclusion
The partition coefficient has been determined to be greater than 1.58E06, log Pow >6.2.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2003-01-17 to 2003-01-30
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- restricted as did not report upper limit of the Log Kow range. Furthermore, this material being based around boron is highly unstable in water and protiotic solvents, like methanol (reference). Water or alcohols will react with this material and change the composition, although no data is available on how fast it would be.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 2000-04-26
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 3.92
- Temp.:
- 40 °C
- pH:
- 6.3
- Remarks on result:
- other: Component 1
- Type:
- log Pow
- Partition coefficient:
- 5.27
- Temp.:
- 40 °C
- pH:
- 6.3
- Remarks on result:
- other: Component 2
- Type:
- log Pow
- Partition coefficient:
- 5.67
- Temp.:
- 40 °C
- pH:
- 6.3
- Remarks on result:
- other: Component 3
- Type:
- log Pow
- Partition coefficient:
- 6.29
- Temp.:
- 40 °C
- pH:
- 6.3
- Remarks on result:
- other: Component 4
- Type:
- log Pow
- Partition coefficient:
- > 9.4
- Temp.:
- 40 °C
- pH:
- 6.3
- Remarks on result:
- other: Component 5 - 13
- Conclusions:
- The results indicated that approximately 94% of the test material had a log10 Pow, in the range 5.67 to >9.4.
- Executive summary:
Test Guidance
HPLC Method, Method A8 of Commission Directive 92/69/EEC
Method and material
Preparation of sample solution
Test material (0.5983 g)was diluted to 100 ml with methanol
Preparation of reference solutions
The dead time was determined by measuring the retention time of thiourea, (purity >99%*, 16.0 mg/l solution, in methanol).
Determination of retention time
The sample, thiourea and reference standard solutions were injected in duplicate into the HPLC system. A calibration curve was constructed from the retention time data of the thiourea andreference standard solutions. The capacity factors(k)for the reference standards were calculated and Log Pow values of the reference standards were taken from the guideline or taken from experimentally determined KOWWIN values.
The capacity factor of the sample was calculated in the same manner as those of the references and the log Pow value determined with reference to the calibration curve.
Testing was carried out at approximately neutral pH since any possible dissociating functional groups present in the test material were outside the range and scope of the method.
Evaporative Light Scattering Detection (ELSD) was used for the test material as this proved more responsive. Using ultraviolet (UV) detection in method development indicated that a similar profile and therefore a similar result would have been obtained with this detector.
Result
Approximately 94% of the test material had a log10 Pow, in the range 5.67 to > 9.4.
Referenceopen allclose all
Table 1: Partition coefficients
Components |
Pow |
Log Pow |
Area (%) |
1 |
8.34E03 |
3.92 |
4.02 |
2 |
1.85E05 |
5.27 |
1.86 |
3 |
4.70E05 |
5.67 |
32.4 |
4 |
1.95E05 |
6.29 |
30.3 |
5 - 13 |
>2.51E09 |
>9.4 |
31.4 |
Description of key information
The partition coefficient of the test item has been determined to be > 2.51E09, Log Pow > 9.4. By extrapolation of the calibration curve using the mean retention time of 85.174 minutes, the log Pow is > 11.7 (OECD 117 and EU Method A.8).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 8
- at the temperature of:
- 40 °C
Additional information
In a key study performed to OECD Guideline No. 117 and EU Method A.8, HPLC method, the result for the test item:
(1) by taking as a limit value based on the next highest reference standard (because the highest reference standard had a high error attached to the recorded Log Pow value of 10.2): the partition coefficient of the test item has been determined to be > 2.51E09, Log Pow > 9.4.
(2) by extrapolation of the calibration curve using the mean retention time of 85.174 minutes: the log Pow is > 11.7. This result is a greater than value because the test item was eluted using a gradient, retention would have been longer under just isocratic conditions.
The Kow value for the test material is outside the range of Log Kow values validated for use in the EUSES software modeling. To ensure useful results are obtained from the model for local exposures, the maximum Log Kow value of 8 validated within the model was used to determine all environmental exposure concentrations.
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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