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Environmental fate & pathways

Adsorption / desorption

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Description of key information

Log Koc > 5 (based on Molecular Connectivity Index (MCI); KOCWIN v2.00)

Key value for chemical safety assessment

Additional information

As no valid study is available for assessing the adsorption potential of 1,2,4-Benzenetricarboxylic acid, tri-C9-11-alkyl esters (CAS No. 94279-36-4), in accordance to Regulation (EC) No. 1907/2006 Annex XI, 1.5 Grouping of substances, a read-across to the structurally related category member 1,2,4-Benzenetricarboxylic acid, mixed decyl and octyl triesters (CAS No. 90218-76-1) was conducted. The read across is justified due to a) the structural similarity of the category members and b) similar physico-chemical properties resulting in a similar environmental fate and ecotoxicity profile. Further justification is given within the endpoint summary 6.1 and within the category justification section 13.

The study was performed with 1,2,4-Benzenetricarboxylic acid, mixed decyl and octyl triesters (CAS No. 90218-76-1) under GLP conditions and according to OECD guideline 121 (Paulus, 2009). No exact log Koc value could be determined, because the chromatogram of the substance showed a retention time, which was higher than the retention time of the reference substance DDT. Therefore, as the retention time of the substance lied outside the range of the method and the range of the reference substances, the log Koc of the substance can be judged as > 5.67.

Additionally, log Koc values were calculated for the main components of 1,2,4-Benzenetricarboxylic acid, tri-C9-11-alkyl esters (CAS No. 94279-36-4) using KOCWIN Program (v2.00). Based on the molecular connectivity index (MCI) log Koc values ranging from 8.14 to 10.28 were determined (Hopp, 2011). This model has no universally accepted definition of its model domain, but since the components are outside the Kow range of the training set, the results should be taken with caution. The definite values for the main components may not be fully reliable, but indicate a high adsorption potential of the UVCB substance, which is also to be expected based on the high calculated log Kow values (log Kow > 10, KOWWIN v1.68) and the low measured water solubility (< 0.05 mg/L) of the UVCB substance. 

Due to the structural and property similarities with the tested category member 1,2,4-Benzenetricarboxylic acid, mixed decyl and octyl triesters (CAS No. 90218-76-1) the results are applicable to read across to 1,2,4-Benzenetricarboxylic acid, tri-C9-11-alkyl esters (CAS No. 94279-36-4).

Based on this information above, it can be assumed that the adsorption potential of 1,2,4-Benzenetricarboxylic acid, tri-C9-11-alkyl esters is high (log Koc > 5).