Registration Dossier
Registration Dossier
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EC number: 268-084-3 | CAS number: 68002-71-1 This substance is identified by SDA Substance Name: C16-C18 trialkyl glyceride and SDA Reporting Number: 19-001-00.
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
- Koc at 20 °C:
- 31 000
Additional information
The adsorption coefficient (Koc) of the ‘Glycerides , C16-18’ was determined through KOCWIN v.2.01 program of EPISuite v.4.11.As the test substance is a UVCB/mixture of different constituents (i.e. mono, di and tri glycerides of fatty acids and free fatty acids) the Koc values were determined for representative substances of each class present >10% to represent the lower and upper limit of the test substance. Hence, the Koc estimations were carried out for palmitic acid, stearic acid representing free fatty acids and tripalmitin, tristearin representing triglycerides of fatty acids and distrearin, dipalmitin representing diglycerides fatty acid and glyceryl stearate, glyceryl palmitate representating monoglycerides fatty acids. SMILES notations were used as the input parameters for the programs/softwares. The average estimations for the individual representative substances from each class range as follows:
Free fatty acids:8.38E+03-3.14E+04L/kg
Mono glycerides fatty acid:8.68E+02 - 3.03E+03 L/kg
Diglycerides fatty acid:2.57E+07 - 3.08E+08 L/kg
Triglycerides fatty acid:1.27E+12-5.43E+13 L/kg
Triglycerides were out of domain for molecular weight criteria, whereas monoglycerides were out of domain for structural fragments in the applicability domain of this method and results are adequate for the purpose of classification and labeling and/or risk assessment. However, the uncertainty in the prediction for glycerides is low as the estimated data is in line with the expected behaviour of this class of compounds. Further, the Koc values from both the methods were averaged to gain more confidence on the prediction.Therefore, based on the modelling results for ≥90% of the individual constituents of the test substance, the overall Koc of the test substance is considered to exceed >3.14E+04 L/kg (US EPA, 2021).
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