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EC number: 294-347-7 | CAS number: 91697-85-7
- 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:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 23.05.2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- The ECHA guidance suggests two possible tests for partition coefficient OECD107 (shake flask) and OECD117 (HPLC), however it suggests neither of these are appropriate for surface active substances. The only options presented in this scenario are individual solubility tests which are not possible. The only option in this scenario are calculations.
- Qualifier:
- according to guideline
- Guideline:
- other: Calculations
- Version / remarks:
- ACD/Labs (2015 Release, C10H41)
- Deviations:
- no
- Principles of method if other than guideline:
- Calculation with ACD/Labs (2015 Release, C10H41)
- GLP compliance:
- no
- Other quality assurance:
- other:
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 6.86 - <= 7.4
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - <= 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 7.05 - <= 7.49
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 14.45 - <= 15.23
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 15.51 - <= 16.29
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 13.77 - <= 14.39
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 14.84 - <= 15.46
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 15.9 - <= 16.52
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 21.76 - <= 22.46
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 22.82 - <= 23.52
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 23.88 - <= 24.58
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 24.95 - <= 25.65
- Temp.:
- 20 °C
- pH:
- ca. 6.8 - ca. 7.2
- Remarks on result:
- not determinable
- Remarks:
- Calculated, because substance surface active
- Details on results:
- Partition coefficient calculations; calculated LogP from ACD/Labs (2015, release C10H41)
Reference
Description of key information
Partition coefficient calculations; calculated LogP from ACD/Labs (2015, release C10H41)
The ECHA guidance suggests two possible tests for partition coefficient OECD107 (shake flask) and OECD117 (HPLC), however it suggests neither of these are appropriate for surface active substances. The only options presented in this scenario are individual solubility tests which are not possible. The only option in this scenario are calculations.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 16.9
- at the temperature of:
- 20 °C
Additional information
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