Registration Dossier
Registration Dossier
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EC number: 245-890-3 | CAS number: 23787-90-8
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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