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EC number: 274-958-5 | CAS number: 70865-30-4
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- between June 8, 2018 and February 15, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Water solubility:
- > 28.2 - < 63.5 g/L
- Conc. based on:
- test mat.
- Remarks on result:
- other: preliminary test
- Water solubility:
- 11.87 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 8.9
- Water solubility:
- 13.38 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 48 h
- Temp.:
- 20 °C
- pH:
- 9
- Water solubility:
- 34.69 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- pH:
- 9
- Details on results:
- After stirring and centrifugation the aqueous phases were measured by means of HPLC. The solution of each flask has been measured twice at 20 °C.
The signal of test item in the HPLC after treatment for 72 hours at 30 °C and another 24 hours at 20 °C was not as sharp as in the calibration and the freshly prepared standards.
Results of the flask method
Flask 1a 2a 3a 4a
measured value [mg/l] 23.83 / 23.66 26.45 / 27.06 69.41 / 69.37 -- / --
pH value at 24 °C 8.9 9.0 9.0 6.6
average ws [g/l]* 11.87 13.38 34.69 --
mean value of ws [g/l] 19.98 --
standard deviation [g/l] 12.76 --
relative standard deviation [%] 63.88 --
*considering a dilution factor of 500
The recovery of test item in the liquid aqueous phases was very inconsistent. With a higher stirring time, a lower concentration of test item could be found in water.
To verify the accuracy of the analytical method, freshly prepared standard solutions (prepared with test item) were measured in between the samples of the flask method.
Standard solution
(nominal value [mg/l]) Measured value [mg/l] Repeatability [%]
Ü-1 (29.97) 30.41 101.5
29.30 97.8
30.21 100.8
30.54 101.9
Ü-2 (38.28) 39.85 104.1
38.78 101.3
39.91 104.3
40.03 104.6
The recovery rate of measured standard solutions was in the range from 97.8 % to 104.6 %, which shows a good accuracy of analytical method.
Due to the broad signal of test item in the HPLC and the inconsistent recovery of test item in the small liquid phases, an additional flask was prepared.
Additional flask:
At the beginning, the flask with the same amount of test item and water as in the first main test (32 g in 100 ml water) was stirred at room temperature (27 °C), but after one day, stirring of the jelly like solid was not possible anymore.
Although the liquid phase was very small, it was decanted and measured after five days. Considering the dilution of 0.1 ml of the liquid phase to 50 ml with water, the maximum concentration of the test item should be 0.64 g/l.
The HPLC-measurements resulted in a concentration of 24 mg/l (< 5 %) with a broad signal of the test item, as it was observed in the flasks 1a to 3a.
For answering the question, if the test item might have reacted over the time, 2 UV-spectra were measured by means of the UV/Vis spectrometer, before and after stirring for five days. It can be observed, that the test item seems not to have changed in water.
Second main test
For the second main test, three flasks were prepared with an amount of test item and water, and one flask only with water.
Already after one day stirring at 30 °C the test item was highly viscous, pasty and no liquid phases could be decanted. Thus, no liquid could be centrifuged and analyzed. - Conclusions:
- Combining the results of the preliminary test and of the first main test, the water solubility of test item at 20 °C and pH 8.9 to 9.0 can only be estimated to be between 11.9 g/l and 63.5 g/l.
- Executive summary:
Method
OECD guideline 105. Flask method was chosen, based on the preliminary test results.
Analytical measurements were done as HPLC-UV, upon validation. Analytical validation was done in terms of specificity, linearity, LOD, LOQ, accuracy and precision
Two main tests were run due inconsistencies.
Results
In the preliminary tests, solubility between 28.2 and 63.5 g/l was found.
In the first main test, a jelly phase formed. In the centrifuged liquid phase, test substance concentration decreases with a higher stirring time, i.e. ca. 34.7, 13.4 and 11.9 mg/l after stirring for 24, 48 and 72 h, respectively, at 30 °C followed by a 24 h stirring at 20 °C..
In the second main test, a jelly viscous phase formed and no liquid phase could be decanted.
Reference
Description of key information
Estimate of water solubility based on preliminary test and first main test: 11.9 - 63.5 g/l at 20 °C and pH 8.9 -9.
Key value for chemical safety assessment
- Water solubility:
- 11.9 g/L
- at the temperature of:
- 20 °C
Additional information
Flask method - OECD 105.
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