Registration Dossier
Registration Dossier
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EC number: 943-149-5 | CAS number: -
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Calculations with EPI suite v4.00 KOCWIN v2.00 were performed for Palmitic acid, Stearic Acid and the monoglycerides C16, C18. As a log Kow below 3 and high water solubility indicates no potential for adsorption, it was not considered necessary to calculate Koc for Sucrose, propylene glycol and Glycerol (log Kow of -3.7, -1.07 and -1.76, respectively; water solubility 2.12E+06 mg/L, 100 vol% and 5.30E+06 mg/L, respectively). The results obtained by calculation were: Palmitic acid - Koc 10059.17 L/kg (log Koc 4.00) Stearic acid - Koc 38804.30 L/kg (log Koc 4.59) Monoglyceride C16 - Koc 1825.44 L/kg (log Koc 3.26) Monoglyceride C18 - Koc 11720.27 L/kg (log Koc 4.07) The model is only valid for undissociated substances. The pKa of Palmitic acid and Stearic acid are 4.75 and 4.75, respectively (see section 7.16), indicating that these compounds will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.
Key value for chemical safety assessment
Additional information
Sucroglyceride C16-18 is a complex reaction product of partial esters of glycerol and sucrose with fatty acids, propylene glycol and unreacted glycerol. Due to this complexity and the high variability in the physicochemical properties of the components it is rather difficult to measure a reliable adsorption coefficient. A calculation of a single Koc for the UVCB substance is also not feasible. Thus, the Koc were calculated separately for representative constituents of Sucroglyceride C16-18.
Calculations with EPI suite v4.00 KOCWIN v2.00 were performed for Palmitic acid, Stearic Acid and the monoglycerides C16, C18. As a log Kow below 3 and high water solubility indicates no potential for adsorption, it was not considered necessary to calculate Koc for Sucrose, propylene glycol and Glycerol (log Kow of -3.7, -1.07 and -1.76, respectively; water solubility 2.12E+06 mg/L, 100 vol% and 5.30E+06 mg/L, respectively).
The results obtained by calculation were:
Palmitic acid - Koc 10059.17 L/kg (log Koc 4.00)
Stearic acid - Koc 38804.30 L/kg (log Koc 4.59)
Monoglyceride C16 - Koc 1825.44 L/kg (log Koc 3.26)
Monoglyceride C18 - Koc 11720.27 L/kg (log Koc 4.07)
The model is only valid for undissociated substances. The pKa of Palmitic acid and Stearic acid are 4.75 and 4.75, respectively (see section 7.16), indicating that these compounds will exist almost entirely in the anion form in the environment. Anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts.
Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.
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