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EC number: 245-890-3 | CAS number: 23787-90-8
- 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)
Description of key information
The water solubility of the test item at 20.0 ± 0.5 °C was evaluated using a slow stir adaptation of the standard test method.
An initial loading rate of 1000 mg/L gave a water solubility of 2.53E-02 g/L at 20.0 ± 0.5 °C.
An initial loading rate of 100 mg/L gave a water solubility of 2.43E-02 g/L at 20.0 ± 0.5 °C.
Compositional information provided by the Sponsor indicating the presence of three dominant components, specifically a methyl ester and two isomers of a structure containing a cyclohexanone functional group. On analysis, solubility was confirmed to be selectively in favor of the two isomers of the structure containing the cyclohexanone functionality. The contribution from the component containing the methyl ester functional group was greatly reduced in the dissolved content of the aqueous solutions on analysis.
Key value for chemical safety assessment
- Water solubility:
- 0.025 g/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test item at 20.0 ± 0.5 °C was evaluated using a slow stir adaptation of the standard test method, based on the findings of Letinski, D.J., Connolly, M.J., Peterson, D.R. and Parkerton, T.F. (2002) “Slow-stir water solubility measurements of selected alcohols and diesters”, Chemosphere 48, 257-265. The method employed was designed to be compatible with the data endpoint requirements of Method A6 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. The results are summarized in the following table:
Initial Nominal Loading Rate |
Water Solubility (g/L of solution at 20.0 ± 0.5 °C) |
1000 mg/L |
2.53E-02 |
100 mg/L |
2.43E-02 |
Compositional information provided by the Sponsor indicating the presence of three dominant components, specifically a methyl ester and two isomers of a structure containing a cyclohexanone functional group. On analysis, solubility was confirmed to be selectively in favour of the two isomers of the structure containing the cyclohexanone functionality. The contribution from the component containing the methyl ester functional group was greatly reduced in the dissolved content of the aqueous solutions on analysis. Typical distribution of the three compounds is summarized in the following table:
Component |
Typical standard solution distribution / contribution, as percentage area (%) |
Typical sample solution distribution / contribution, as percentage area (%) for 1000 mg/L loading rate |
Typical sample solution distribution / contribution, as percentage area (%) for 100 mg/L loading rate |
Methyl ester |
12.7 |
1.7 |
0.9 |
Structure containing a cyclohexanone functional group, isomer 1 |
73.9 |
74.1 |
77.6 |
Structure containing a cyclohexanone functional group, isomer 2 |
13.4 |
24.2 |
21.5 |
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