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Diss Factsheets
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EC number: 272-902-4 | CAS number: 68919-76-6
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Study period:
- 2013-02-13
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The water solubility of the mono-condensation product of 400112 was calculated using the software program WSKOWWIN v1.41a recommended by ECHA.
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Calculation using the software WSKOWWIN v1.41a
- GLP compliance:
- no
- Remarks:
- (not applicable)
- Type of method:
- other: calculation
- Key result
- Water solubility:
- 0.002 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: calculated using WSKOWWIN
- Conclusions:
- Interpretation of results (migrated information): insoluble (< 0.1 mg/L)The calculated water solubility of the mono-condensation product of 400112 is 0.002354 mg/L.
- Executive summary:
The program WSKOWWIN was used to calculate the water solubility of the mono-condensation product of 400112. The calculation was performed based on the SMILES notation. The calculated water solubility was 0.002354 mg/L. Hence, the monocondensation product can be considered insoluble.
Reference
Log Kow used by Water solubility estimates: 7.51
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction
(used when Melting Point NOT available)
Correction(s): No Applicable Correction Factors
Log Water Solubility (in moles/L): -8.173
Water Solubility at 25 °C (mg/L): 0.002354
Description of key information
The determination of the water solubility of 400112 according to OECD guideline 105 resp. EU A.6 was conducted under non-GLP conditions. Only a Pre-Test was conducted. The measured TOC concentrations in the filtrated test solutions (nominal 10.3 mg/L) were 3.6 mg/L and < 1 mg/L, respectively. The tests showed that the solubility of the test item is dependent on the test design and could not be quantified accurately as the solubility was below the LOQ of the used method. Visual observation of the test item solution (nominal 100 mg/L) showed, that the test item changed from a clear yellowish liquid to a white suspension presumably due to hydrolysation.
Furthermore the water solubility of the main constituents of 400112 was calculated using WSKOWWIN. The calculated values for both, the mono- and dicondensation product of 400112, were below 0.1 mg/L. This indicates that the constituents of 400112 are insoluble and strengthens the experimental result.
Key value for chemical safety assessment
Additional information
ln the pre-test, 10.3 mg/L and 1000 mg/L test item in demineralised water were shaken for 24 hours. Additionally, solutions with the same nominal concentrations were slowly stirred at room temperature. The solutions with nominal concentration 1000 mg/L could not be adequately prepared for TOC analysis: filtration as well as centrifugation yielded poor results, as undissolved particles/droplets were still visible in the solution. Therefore, no TOC analysis was performed for these solutions. The measured TOC concentrations in the filtrated test solutions (nominal 10.3 mg/L) were 3.6 mg/L and < 1 mg/L, respectively. This result confirmed that the measured TOC concentration is dependent on the test design. Visual observation of the test item solution (nominal 100 mg/L) during the pre-test showed, that the test item changed from a clear yellowish liquid to a white suspension. The solubility of the test item could not be quantified accurately as the solubility was below the LOQ of the used method.
Furthermore the water solubility of the main constituents of 400112 was calculated using WSKOWWIN. The calculated values for both, the mono- and dicondensation product of 400112 were below 0.1 mg/L. This indicates that the main constituents of 400112 were insoluble and strengthens the result that 400112 is also insoluble.
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