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EC number: 214-772-3 | CAS number: 1193-24-4
- 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:
- June 16- June 25, 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed in laboratory certified to be compliant with GLP.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- yes
- Remarks:
- The partition coefficient is determinated in dependance with pH.
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- GLP compliance:
- no
- Remarks:
- in laboratory certified to be compliant with GLP
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- -1.5
- Temp.:
- 25 °C
- pH:
- 5
- Type:
- log Pow
- Partition coefficient:
- -2.8
- Temp.:
- 25 °C
- pH:
- 6.7
- Type:
- log Pow
- Partition coefficient:
- < -3.7
- Temp.:
- 25 °C
- pH:
- 8.8
- Remarks on result:
- other: At the pH value of 8.8 the octanol / water partition coefficient could not be determined experimentally because the levels of the substance in the octanol phase were below the limit of detection.
- Details on results:
- The substance is an acid and, consequently, the level of the protonated form of it increases with increasing pH value, therefore the relative concentration of the substance in the octanol phases would be expected to decrease with increasing pH value.
At final pH values of 5.0 and 6.7 log Pow values of -1.5 and -2.8 respectively were determined for the substance.
At the equilibrium pH values of 8.8 the octanol / water partition coefficient could not be determined experimentally because the levels of the substance in the octanol phase were below the limit of detection. At pH values greater than pH 6.7 log Pow will be expected from theory to be less than - 2.8 and this has indeed been shown by experiment to be so. - Conclusions:
- This study is considered to be adequate and reliable.
Reference
Description of key information
-1.5, pH=5.0, 25°C shake-flash method,
Halarnakar, 2010
-2.8, pH=6.7, 25°C shake-flash method, Halarnakar, 2010
<-3.7, pH=8.8, 25°C shake-flash method, Halarnakar, 2010
- At the equilibrium pH values of 8.8 the
octanol / water partition coefficient could not be determined
experimentally because the levels of the substance in the octanol phase
were below the limit of detection.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.8
- at the temperature of:
- 25 °C
Additional information
The key study has been performed under OECD and EU Guidelines therefore it is considered reliable and adequate for classification and labeling, and risk assessment purposes.
The two literature values available are considered disregarded. The same group of authors published three QSAR models, i.e. Liao et al 1996 and Chen at al 1996 & 1997. However the log Kow in the first submission is reported to be 0.10 for 4.6-dihydroxypyrimidin, the second submission reports the value 1.49. Nonetheless the third submission refers again to the value 0.10. In the light of this interplay the scientific accurateness of the data handling must be disbelieved.
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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