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Diss Factsheets
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EC number: 304-059-6 | CAS number: 94233-27-9
- 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
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance decomposes
- Justification for type of information:
- According to hydrolysis test results, the hydrolysis rate is estimated to be within several minutes. The hydrolysis products have been identified to be 2-ethylhexnol, acetylacetone and titanium dioxide
- Reason / purpose for cross-reference:
- data waiving: supporting information
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- As the target substance is hydrolytically unstable with hydrolysis half-life less than 30 minutes at 30°C, testing is not feasible. According to hydrolysis test results, the hydrolysis products have been identified to be 2-ethylhexnol, pentane-2,4-dione and titanium dioxide. The physical, toxicological and ecotoxicological properties of the organic parts have been well-investigated. Read-across approach from hydrolysis products are used for assess the target substance.
QSAR modelling is used to calculate partition coefficients of the hydrolysis products. - Guideline:
- other: QSAR model
- GLP compliance:
- no
- Type of method:
- other: QSAR model
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 2.7
- Temp.:
- 20 °C
- pH:
- ca. 7
- Details on results:
- Partition coeffiecnts (log value) of 2-ethylhexanol and pentane-2,4-dione are 2.9 and 0.68 respectively.
- Conclusions:
- Partition coeffiecnts (log value) of 2-ethylhexanol and pentane-2,4-dione are 2.9 and 0.68 respectively. The higher value of 2-ethylhexanol was chosen as the most hazardous situation and used for CSA.
- Executive summary:
The hydrolysis products had been identified to be 2-ethylhexnol, acetylacetone and titanium dioxide. 2 -ethylhexanol, which had higher partition coefficient, was chosen for CSA.
Referenceopen allclose all
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.9
- at the temperature of:
- 25 °C
Additional information
As the target substance hydrolyzes rapidly within 30 minutes, the intrinsic properties of the target substance lie on the hydrolysis product. The Log Pow of the 2-ethylhexanol and pentane-2,4-dione were estimated to be 2.9 and 0.68 by QSAR model, respectively. The larger partition coefficient of 2 -ethylhexanol was used for CSA evaluation.
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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