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Diss Factsheets
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EC number: 607-240-0 | CAS number: 23511-73-1
- 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:
- 22 December 2008 to 17 February 2009
- 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 - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Food and Consumer Product Safety Authority, Den Haag, Netherlands
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.9
- Temp.:
- 25 °C
- pH:
- ca. 7
Reference
Calculation method
The Pow of the test substance was calculated to be 3.4 x 105 (log Pow 5.53) using the Rekker calculation method.
No pKa values were calculated for acidic and basic groups in the molecular structure of the test substance.
HPLC Method
The results of the HPLC method are given in the following table.
Substance |
tr,1 [minutes] |
tr,2 [minutes] |
mean tr [minutes] |
log Pow |
Pow |
Peak area [%] |
|
|
|
|
|
|
|
Formamide |
1.148 |
1.143 |
1.146 |
|
|
|
|
|
|
|
|
|
|
Ethylmethylketone |
1.357 |
1.357 |
|
0.3 |
|
|
Benzylalcohol |
1.461 |
1.475 |
|
1.1 |
|
|
Toluene |
3.367 |
3.384 |
|
2.7 |
|
|
1,4-Dichlorobenzene |
4.506 |
4.524 |
|
3.4 |
|
|
1,2,4-Trichlorobenzene |
7.483 |
7.504 |
|
4.2 |
|
|
Dibenzyl |
10.013 |
10.039 |
|
4.8 |
|
|
Fluoranthene |
14.917 |
14.949 |
|
5.1 |
|
|
|
|
|
|
|
|
|
Test item peak1 |
1.514 |
1.516 |
1.515 |
1.0 |
9.5 x 10° |
0.58 |
Test item peak2 |
12.679 |
12.683 |
12.681 |
4.9 |
7.9 x 104 |
99 |
|
|
|
|
|
|
|
In the chromatogram of the test substance solution, one large test substance peak and one small test substance peak were observed. The large peak (at 12 minutes) was considered to derive from the major component of the test substance and the small peak (at 1.5 minutes) was probably from an impurity. This was confirmed by comparing two others chromatograms obtained with substances solutions at different concentrations
The equation of the regression line was: log k' = 0.382 x log Pow - 0.865 (r = 0.994, n = 14).
Conclusion
The partition coefficient of the test substance at 25 °C and pH ca. 7 was log Pow = 4.9 according to OECD Guideline 117.
Description of key information
log Pow = 4.9 at 25 °C and pH ca. 7 (OECD Guideline 117, HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.9
- at the temperature of:
- 25 °C
Additional information
As supporting information. a QSAR calculation performed with EPI Suite KOWWIN software v 1.68 resulted in a log Pow of 5.05. This value is similar to experimentally determined one and supports the final results.
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.