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Diss Factsheets
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EC number: 700-334-3 | 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
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Testing conducted between 16 May 2008 and 02 Sepetember 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 30 °C
- pH:
- 7.7
- Details on results:
- Results:
Preliminary estimate:
Approximate solubility in n-octanol: >1.00 x 103 g/l
Aproximate solubility in water: <1.50 x 10E-3 g/l
Approximate Pow: >6.69 x 10E5
Log10 Pow: >5.83
results from definitive test:
Mean Log Pow: >6.50
Partition coefficient:>3.16 x 10E6. - Conclusions:
- The partition coefficient of the test material has been determined to be > 3.16 x 10E6, log Pow >6.50.
- Executive summary:
The partition coefficient of SiMAA2 conducted in study number 2551/0013 was determinated using the HPLC Method, Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of council directive 67/548/EEC).
Under the conditions of the test, the test material was determined to have a partition coefficient of > 3.16 x 106, and a log Pow >6.50.
Reference
Definitive test:
The retention times (RT) in minutes of the deadtime and the retention times, capacity factors (k) and log10 Pow values for the reference standards are shown in the following tables below:
Dead time | RT (Injection 1) | RT (Injection 2) | Mean RT (mins) |
Thiourea | 2.640 | 2.638 | 2.639 |
Stanadard | RT injection1 | RT injection 2 | Mean RT (mins) | Capacity factor (k) | Log10 K | Log10 Pow |
Benzene | 5.169 | 5.175 | 5.172 | 0.960 | -1.78 x 10 -2 | 2.1 |
Toluene | 6.391 | 6.400 | 6.396 | 1.42 | 0.153 | 2.7 |
Naphthalene | 7.532 | 7.543 | 7.538 | 1.86 | 0.269 | 3.6 |
Phenanthrene | 12.084 | 12.105 | 12.095 | 3.58 | 0.554 | 4.5 |
Triphenylamine | 23.295 | 23.322 | 23.309 | 7.83 | 0.894 | 5.7 |
DDT | 31.921 | 31.951 | 31.936 | 11.1 | 1.05 | 6.5 |
Partition coefficient of sample: The retention times, capacity factors and log10 Pow values determined for the sample are shown in the table below:
Peak No. | Injection | RT (mins) | Capacity factor (k) | Log10 K | Log10 Pow |
1 | 1 | 47.219 | 16.9 | 1.23 | >6.50 |
1 | 2 | 47.302 | 16.9 | 1.23 | >6.50 |
2 | 1 | 50.828 | 18.3 | 1.26 | >6.50 |
2 | 2 | 50.919 | 18.3 | 1.26 | >6.50 |
Discussion:
Substances having a log10 Pow greater than 3 are regarded as having the potential to biaccumulate in the environment. The test material was considered to contain one (alcoholic) dissociating group, with an estimated pKa of 13.07 +/- 0.20 (using ACD/I-lab web Service (ACD/pKa 8.03)). Therefore, testing was carried out at approximately neutral pH, with the test material present in its unionised form.
The two peaks observed in the sample injections has been considered to be due to the test material having a chiral centre, leading to two different structural isomeric forms.
To conclude, the partition coefficient of the test material has been determined to be greater than 3.16 x 106, log10 Pow >6.50.
Dead time | RT (Injection 1) | RT (Injection 2) | Mean RT (mins) |
Thiourea | 2.640 | 2.638 | 2.639 |
Description of key information
The partition coefficient of SiMAA2 was determinated using the HPLC Method, Method A8 of Commission Directive 92/69/EEC.
Under the conditions of the test, the test material was determined to have a partition coefficient of > 3.16 x 106, and a log Pow >6.50.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 30 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.