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EC number: 800-838-4 | CAS number: 1384855-91-7
- 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
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:
- 2010
- 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)
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 4.55
- Remarks on result:
- other: Log Pow value of DPPA is 2.43 (33% of total base peak area) and log Pow of DPHA is 3.44 (42% of total base peak area). Therefore, 75% w/w of the tested substance has a log Kow ≤3.44. For the minor components, log Pow values are between 0.25 and 4.55.
- Details on results:
- Log Pow was also calculated using the chemical structure or the CAS number (computer software: ECOSAR, EPA Kow win). The calculated log Pow values for both main components of DPHA are on the same order of magnitude to the experimental ones.
- Conclusions:
- DPHA is a UVCB. The log Kow value of the constituent DPPA is 2.43 (33% of total base peak area) and the log Kow of the constituent DPHA is 3.44 (42% of total base peak area). Therefore, 75% w/w of the tested substance has a log Kow ≤3.44. For the minor components, log Kow values are between 0.25 and 4.55.
- Executive summary:
A study was conducted to determine the partition coefficient of test substance, DPHA according to the OECD Guideline 117 using High Performance Liquid Chromatography (HPLC) with UV detection method. The test substance is a UVCB. The log Kow value of DPPA is 2.43 (33% of total base peak area) and the log Kow of DPHA is 3.44 (42% of total base peak area). Therefore, 75% w/w of the tested substance has a log Kow ≤3.44. For the minor components, log Kow values are between 0.25 and 4.55. Log Kow value was also estimated by calculation methods (Rekker) which are based on theoretical fragmentation of the molecule into suitable substructures for which log Kow increments are known. The calculated log Kow values for both main components of the test substance are on the same order of magnitude to the experimental ones (Herssens, 2010).
Reference
Experimental values:
DPHA |
Retention time (min) |
Log Pow |
Area (%) |
Component 1 |
1.7 |
0.25 |
2.2 |
Component 2 |
2.23 |
1.36 |
11.0 |
DPPA |
3.65 |
2.43 |
32.8 |
DPHA |
7.44 |
3.44 |
42.4 |
Component 5 |
20.43 |
4.55 |
11.6 |
Calculated value:
DPHA |
Experimental log Pow |
Calculated log Pow |
DPHA DPPA |
3.44 (42%) 2.43 (33%) |
3.15 1.79 |
Description of key information
The partition coefficient of the test substance was determined according to OECD Guideline 117 using the High Performance Liquid Chromatography (HPLC) method (Herssens, 2010).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.55
- at the temperature of:
- 20 °C
Additional information
The log Kow value of the constituent DPPA is 2.43 (33% of total base peak area) and the log Kow of the constituent DPHA is 3.44 (42% of total base peak area). Therefore, 75% w/w of the tested substance has a log Kow ≤3.44. For the minor components, log Kow values are between 0.25 and 4.55.
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