Fatty acids, C16-18 (even numbered), reaction products with diethylene triamine, di-Me sulfate quaternized

Endpoint summary

Additional information

The UVCB substance hydrogenated tallow/nortallow based IQAC is a solid at ambient temperature and 1013 Pa. Based on its variable composition a distinct melting point could not determined. In a study conducted according to OECD guideline 102, the substance exhibits a melting range of 5-63°C. In a study conducted according to OECD guideline 103 no distinct boiling point could be determined, with differential scanning calorimetry, thermogravimetric measurement and capillary method. During TGA the recorded main weight loss above 306.4 °C (estimated onset on TGA) may have indicate a beginning evaporation (boiling), however, from the knowledge of the chemical structures this endotherm is most likely allocated to a degradation process. This assumption can also be deduced from the literature, as it is well known that quaternary structures tend to degrade above temperatures of 120 °C (Hoffmann degradation; reversed Menshutkin reaction).  In order to provide evidence for this assumption, a degradation test was performed during which an aliquot of the sample was heated to 280 °C for 15 minutes. The remaining residue (97 % of the original material) war characterised by NMR spectroscopy. The NMR analysis confirms the decomposition of the product. Consequently, hydrogenated tallow/nortallow based IQAC does not provide a boiling point until disintegration at about 280 °C.

In a study conducted according to OECD guideline 109 the density of Rewoquat W 75 H was determined using a gas comparison pycnometer. The measurements were repeated automatically until the results of at least five subsequent runs were within the specified tolerance (deviation of displaced volume < 0,006 cm³). The density was determined to be 1.0652 cm³ at 20°C.

Based on Regulation (EC) No 1907/2006 (REACH) Annex VII, section 7.14, column 2 the study does not need to be conducted if the substance is marketed or used in a non solid or granular form. The substance is handled as solution.

The vapour pressure of the substance is assumed to be too low to be measured based on its ionic structure. Moreover, QSAR predictions cannot be made with ionic substances, therefore the vapour pressure of the two main (uncharged) Imidazolium compounds was estimated using EPISuite v4.11/MPBPWIN v1.43. The weighted mean of both calculated vapour pressures was 3.93E-20 Pa at 25°C. The partition coefficient was determined using the shake flask method according to OECD guideline 105, Method A6 of Commission Regulation (EC) No. 440/2008. Taking the water solubility of hydrogenated tallow/nortallow based IQAC of < 0.5 mg/L into account, this would correspond to a log POW of ≤ 3.3 at room temperature (22 °C). A HPLC-CAD test was performed in order to determine the water solubility of Rewoquat W75H. Rewoquat W75H is composed of three constituents and none of the constituents was detected after 24h, 12 days and 14 days above the detection limits for each constituent. Thus, the water solubility of hydrogenated tallow/nortallow based IQAC is considered to be < 0.5 mg/L at 22°C.

Based on its low water solubility testing of surface tension was omitted. A test for flash point does also not need to be conducted because the substance is a solid. Auto flammability is not expected based on a melting point range of 5-63°C which is far below 160°C. A test for flammability was not performed because the substance is known to be stable in contact with air at room temperature for prolonged periods of time (days) and hence, the classification procedure does not need to be applied. Finally, tests for explosive or oxidizing properties were omitted because based on structure such properties are not expected.