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EC number: 263-171-2 | CAS number: 61791-39-7
Endpoint summary
Administrative data
Description of key information
Additional information
- During preliminary testing, it was noted that the test item formed fine dispersions in water that could not be cleaned up fully. Therefore, as the final solutions would not be free from excess, undissolved test item, it was concluded that any practical testing would not be possible.
- During water solubility testing, it was noted that the test item formed fine dispersions in the water that could not be cleaned up fully. Therefore, as the final solutions would not be free from excess, undissolved test item, it was concluded that any practical testing would not be feasible.
- The test item was estimated to be essentially insoluble in water. The method guidelines state that substances with a water solubility of less than 1 mg/L need not be tested for surface tension.
Appearance and general physical chemical properties (Physical State, Colour and Odour, melting point and boiling point). The substance is an amber coloured (Munsell(R) 7.5 YR 7/12) viscous liquid with a weak amine like odour, at 22.2 + 0.5°C. The melting Point of the substance was determined to be less than - 20°C (253 K), using the pour point method. The boiling point of the test item decomposed at approximately 300°C (573K) at 102.11 to 103.38 kPa, the boiling point study was conducted by differential scanning calorinetry.
Relative Density. 0.941 at 20.0 + 0.5°C, using the pycnometer method, designed to be compatible with Method A3 Relative Density of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 109 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Vapour Pressure. 5.1 x 10-4 Pa at 25°C, using the vapour pressure balance method, designed to be compatible with Method A4 Vapour Pressure of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 104 of the OECD Guidelines for Testing of Chemicals, 23 March 2006.
Partition Coefficient. Based on the OECD Guideline 117: "Determination of the n-octano/lwater partition coefficient by HPLC", the calculated weighted average log Powwas5.4, covering the compounds (peaks) in the chromatogram contributing to>5% to the test substance.
Water solubility. No determination was possible according to Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 due to the following reason:
Therefore, the water solubility of each set of components was estimated using a computer-based atom fragment contribution method, WSKOWWIN, version 1.41a, (C) 2000 US Environmental Protection Agency.
The estimated water solubility values are presented in the following table:
Components |
Estimated water solubility at 25°C (g/l) |
A |
~2.4 x 10-6 |
B |
~2.0 x 10-15 |
C |
~1.0 x 10-4to ~1.7 x 10-4 |
D |
~1.2 x 10-12to ~8.7 x 10-14 |
E |
~9.6 x 10-7 |
Surface Tension. No determination was possible according to Method A5 Surface Tension of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 115 of the OECD Guidelines for Testing of Chemicals, 27 July 1995, due to the following reasons:
Flash Point. 254 + 2°C, using a closed cup equilibrium method designed to be compatible with Method A9 Flash Point of Commission Regulation (EC) No 440/2008 of 30 May 2008. Auto-Ignition Temperature (Liquids and Gases). 352 + 5°C, using a procedure designed to be compatible with Method A15 Auto-Ignition Temperature (Liquids and Gases) of Commission Regulation (EC) No 440/2008 of 30 May 2008. Explosive Properties. Predicted negative based on the chemical structure, using a procedure designed to be compatible with Method A14 Explosive Properties of Commission Regulation (EC) No 440/2008 of 30 May 2008. Oxidising Properties (Liquids). Predicted negative based on the chemical structure, using a procedure designed to be compatible with Method A21 Oxidising Properties (Liquids) of Commission Regulation (EC) No 440/2008 of 30 May 2008. Dissociation Constants in Water. No determination was possible according to Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981, as the test method is not appropriate for complex mixtures.
Therefore, the dissociation constants were estimated using I-Lab 2.0 - weblab.acdlabs.com.
The estimated pKavalues are presented in the following table:
Components |
Functional Group |
Estimated pKavalue |
A |
Alcohol |
~15.1 |
Imidazoline |
~10.1 |
|
B |
Imidazoline |
~9.8 |
C |
Alcohol |
~14.5, ~14.8 |
Amine |
~5.7, ~8.8, ~8.9, ~9.6 |
|
D |
Alcohol |
~14.5 |
Amine |
~7.9, ~8.9 |
|
E |
Imidazoline |
~10.9 |
Viscosity. The viscosity was determined using a capillary viscometer, designed to be compatible with Method 114 of the OECD Guidelines for Testing of Chemicals, 12 May 1981. The results are presented in the following table:
Temperature (°C) |
Viscosity (mm2/s) |
20.0 ± 0.5 |
424 |
40.0 ± 0.5 |
13 |
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