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EC number: 209-665-3 | CAS number: 589-92-4
- 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:
- 2015-09-14 to 2016-01-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- adopted July 27, 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 30 May 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 23.2 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 4.7
- Remarks on result:
- other: Water solubility range: 23.1 to 23.3 g/L
- Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
In a valid, reliable and conclusive study according to OECD TG 105, the water solubility of the test substance was 23.2 g/L at 20 °C ± 0.5 °C. - Executive summary:
The water solubility of the test item was determined according to OECD TG 105 to be 23.2 g/L at a temperature of 20.0 ± 0.5 °C.
Reference
Preliminary test: The preliminary estimate of water solubility was 23.9 g/L.
Definitive test: The mean peak areas obtained for the standard and sample solutions are shown in Table 2. The water solubility determined for each sample is shown in Table 3.
Overall mean water solubility: 23.2 g/L
Water solubility range: 23.1 to 23.3 g/L
Relative standard deviation: 0.56 %
Test temperature: 20.0 ± 0.5°C
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 100 to 1000 mg/L (equivalent to 5.0 to 50 g/L for the sample solutions, correcting for dilution factor). On plotting the data the linearity was satisfactory with a first order correlation coefficient of 1.000 being obtained. The equation of the correlation was as follows:
y = 8.586 x 1.209 x 104
where: y = peak area, x = concentration (mg/L)
To confirm specificity of the analytical method, aliquots of a standard solution and a sample solution were analysed using a gas chromatography mass spectroscopy (GC-MS) technique to record the mass spectra of the analyte peak used for quantification. The peak spectra generated were consistent both with the proposed structure for the test item and also between the standard and sample solutions. The mass of m/z = 112 is the parent test item, the mass of m/z = 97 is the parent with the loss of the methyl group and the mass of m/z = 55 is characteristic of cyclic, saturated ketones. The minor shift in retention time between the GC-FID and GC-MS methodologies can be attributed to the influence of the vacuum associated with the mass selective detector accelerating the flow through the column. The precision of the determination can be addressed from the standard deviation for the mean concentration from the three individual samples on analysis. A relative standard deviation value of 5.56 % was obtained. The results satisfied the guideline quality criteria of less than 15 % variance and in addition, no time dependent trend to the data was evident. In the absence of any necessary extraction techniques, no determination of accuracy was considered relevant to the analytical procedure.
Discussion
On completion of the re-equilibration period at 20 °C, the samples remained saturated, with excess, undissolved test item present. Following centrifugation, the isolated sample solutions were free from any undissolved test item prior to analysis.
Description of key information
Two studies for the water solubility of 4 -methylcyclohexanone are available:
23.2g/L at 20°C, OECD TG 105, O'Connor 2016
24.3g/L at 20°C, no guideline, Stephenson 1992
The results for both studies are in good agreement. The most recent study conducted under GLP (O'Connor 2016) was selected as the key study, and is carried forward for risk assessment purposes.
Key value for chemical safety assessment
- Water solubility:
- 23.2 g/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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