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EC number: 944-574-9 | CAS number: -
- 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:
- Experimental starting date: 31 May 2016 Experimental completion date: 25 June 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Other quality assurance:
- other: The UK Good Laboratory Practice Regulations OECD Principles of Good Laboratory Practice EC Commission Directive 2004/10/EC of 11 February 2004
- Type of method:
- flask method
- Key result
- Water solubility:
- < 0 g/L
- Conc. based on:
- other: loading rate
- Incubation duration:
- 24 h
- Temp.:
- 20 °C
- pH:
- >= 3.4 - <= 3.6
- Details on results:
- See next section for full details
- Conclusions:
- The water solubility of the test item has been determined to be less than 2.53 x 10-5 g/L at 20.0 ± 0.5 °C.
- Executive summary:
The water solubility of the test item has been determined to be less than 2.53 x 10-5 g/L of solution at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 09 February 2015 to 05 March 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Analysis conducted to GLP standards during investigation of aquatic toxicity.
- Qualifier:
- according to guideline
- Guideline:
- other: Method developed by Department of Analytical Services, Harlan Laboratories Ltd. Shardlow, UK
- Deviations:
- no
- Principles of method if other than guideline:
- The test item concentration in the test samples was determined by high performance liquid chromatography with mass spectrometry using an external standard. The test item gave a chromatographic profile consisting of a number of unresolved peaks.
- GLP compliance:
- yes
- Type of method:
- other: HPLC-MS-MS using an external standard
- Water solubility:
- 0.636 mg/L
- Temp.:
- 30 °C
- Remarks on result:
- other: pH not reported
- Details on results:
- - Results obtained for the concentration of the test item found in the test samples are presented in Table 4 (attached).
- Typical chromatograms are shown in Figures 2 to 4 (attached). - Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Concentration of test item in a sample of 100 mg/L nominal loading rate was determined to be 0.636 mg/L at zero hours. - Executive summary:
METHOD
The test item concentration in the test samples was determined by high performance liquid chromatography with mass spectrometry using an external standard. The test item gave a chromatographic profile consisting of a number of unresolved peaks.
RESULTS
The zero -hour concentration of test item in a sample with a nominal loading rate of 100 mg/L was determined to be 0.636 mg/L at 30 °C.
Referenceopen allclose all
PreliminaryTest
The preliminary estimate of water solubility at 20.0 ± 0.5 °C was determined to be less than
1.0 x 10-4g/L. The solution had a pH of 3.8.
Main Test
Typical chromatography is presented in the attached Appendix 1
The mean total peak areas relating to the standard and sample solutions are shown in the following tables:
Table 2
Solution |
Mean Total Peak Area |
Standard 0.025 mg/L |
1.701 x 107 |
Standard 0.051 mg/L |
2.094 x 107 |
Standard 0.076 mg/L |
4.257 x 107 |
Standard 0.105 mg/L |
3.941 x 107 |
Standard 0.253 mg/L |
4.602 x 107 |
Standard 0.507 mg/L |
6.887 x 107 |
Standard 0.760 mg/L |
9.822 x 107 |
Standard 1.01 mg/L |
1.013 x 108 |
Blank |
1.209 x 107 |
Sample 1A |
1.224 x 107 |
Sample 1B |
1.222 x 107 |
Sample 2A |
1.127 x 107 |
Sample 2B |
1.124 x 107 |
Sample 3A |
1.101 x 107 |
Sample 3B |
1.080 x 107 |
The calibration curve from which the sample concentrations were interpolated is shown in the attached Figures (Figure 1).
The concentration (g/L) of test item in the sample solutions at 20.0 ± 0.5 ºC are shown in the following table:
Table 3
Sample Number |
Time Shaken at ~ 30 ºC (hours) |
Time Equilibrated at 20 ºC (hours) |
Concentration (g/L) |
Solution pH |
1 |
24 |
24 |
<2.53 x 10-5 |
3.6 |
2 |
48 |
24 |
<2.53 x 10-5 |
3.5 |
3 |
72 |
24 |
<2.53 x 10-5 |
3.4 |
Overall concentration: less than 2.53 x 10-5g/L at 20.0 ± 0.5ºC
VALIDATION OF THE ANALYTICAL METHOD
Specificity
- Standard solutions contained a peak specific for the test item whose area changed according to known concentration.
- The specificity of the retention time method was thus confirmed.
Linearity
- Calibration data for the calibration standards of the test item is given in Table 2 and Figure 1 (attached).
- Data was found to have a quadratic correlation within the calibration range of 0 to 1.6 mg/L.
- The Rsquared fit of the calibration curve to the data was 0.9959 and was considered to be acceptable.
Accuracy (recovery) and precision
- A set of recovery samples accurately fortified at a relevant concentration of test item was prepared five-fold and analysed.
- Results obtained for the concentration of the test item in the recovery samples are presented in Table 3 (attached).
- The method was considered to be sufficiently accurate and precise for the purposes of the test.
- Test sample results were not corrected for recovery.
Limit of quantification
- The limit of quantification (LOQ) was determined by calculating the sample concentration that gave a peak equivalent to ten times the baseline noise.
- Using this method the LOQ was determined to be 0.11 mg/L.
Description of key information
in the study Fox J M 2016 The water solubility of the test item has been determined to be less than 2.53 x 10-5 g/L of solution at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
In the test Harris, 2015 The zero -hour concentration of test item in a sample with a nominal loading rate of 100 mg/L was determined to be 0.636 mg/L at 30 °C (OECD 203 analytical method).
Key value for chemical safety assessment
- Water solubility:
- 0.025 mg/L
- at the temperature of:
- 20 °C
Additional information
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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