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EC number: 266-944-2 | CAS number: 67701-26-2 This substance is identified by SDA Substance Name: C12-C18 trialkyl glyceride and SDA Reporting Number: 16-001-00.
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
Experimental result (DOC analytics): <1 mg/L at 20 °C
QSAR (WSKOWWIN v1.42 and WATERNT v1.01 ):
1.141e-11 mg/L – 6.3902e-7 mg/L at 25 °C (C12 triester component),
6.528e-21 mg/L – 8.9151e-7 mg/L at 25 °C (C18 triester component)
Key value for chemical safety assessment
Additional information
The water solubility of Glycerides, C12-18 (CAS 67701-26-2) was determined in the weight of evidence approach based on the experimental and QSAR data. The water solubility of <1mg/L at 20°C of the substance was determined experimentally according to method OECD 105 using the shake flask method with DOC detection of test substance. The value of 1 reflects the limit of quantification of the method for this type of the substance; Glycerides are known to produce micelles in water. The micelles make almost impossible to have a clear phase separation of soluble parts in aqueous solution and the non-soluble parts of a substance. For testing the water solubility according ASTM E 1148-02 the test item was used in excess as required for the shake-flask method, so a lot of insoluble test substance was present in the test system. While solid particles were removed by filtering (filter disc, grade 388), the clear filtrate (visual check) was used for DOC analysis. Micelles were not completely removed by the filtering step. It is expected that this affected the DOC analysis and increased the content of carbon in total. Therefore the limit of quantification (LOQ) of 1 mg/L reflects an analytical solution based on sound science.
In addition QSAR calculations were performed with WSKOWWIN and WATERNT for the main components in the substance (C12, C14, C16 and C18 triester components). Results agree qualitatively with the experimental result and show very low water solubility for each component (lowest solubility results for C12 triester component: 1.141e-11 mg/L – 6.3902e-7 mg/L at 25 °C; highest solubility results for C18 triester component: 6.528e-21 mg/L – 8.9151e-7 mg/L at 25 °C).
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