Registration Dossier
Registration Dossier
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EC number: 700-003-3 | CAS number: 56519-71-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
BCF: 11.05 L/kg (BCFBAF v3.01)
Key value for chemical safety assessment
Additional information
No experimental studies investigating the bioaccumulation potential of propanediol dicaprylate are available. Therefore, the bioaccumulation factor (BCF) of the substance was estimated using a reliable QSAR model (BCFBAF v3.01; Noel, 2013). The substance was in the applicability domain of the model indicating that the results are reliable and can be used to assess the bioaccumulation potential of propanediol dicaprylate. The BCF was calculated to be 11.05 L/kg (upper trophic) using the model of Arnot-Gobas which includes biotransformation. Exclusion of biotransformation resulted in clearly higher BCF values of 5687 L/kg. Thus, it can be concluded that the substance will be extensively metabolized (half-life of 0.227 d) which reduces the bioaccumulation potential significantly. In conclusion, due to the estimated BCF values including biotransfomation, propanediol dicaprylate has a low potential for bioaccumulation, as the calculated BCF of 11.05 L/kg is clearly below the trigger value of 2000 L/kg to be classified as bioaccumulative (B-criterion; ECHA Guidance R.11, 2012).
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