Registration Dossier
Registration Dossier
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EC number: 260-829-0 | CAS number: 57583-35-4
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
In accordance with Column 2 of REACH Annex IX (section 9.3.2), a study on bioaccumulation in aquatic species (fish) need not be conducted if direct and indirect exposure of the aquatic compartment is unlikely. Predicted environmental concentrations associated with manufacture and downstream use indicate that direct/indirect exposures to the aquatic environment are unlikely.
Key value for chemical safety assessment
Additional information
The log Kow of DMT[EHTG] has been estimated by the KOWWIN v1.67 sub-model within EPIWIN v4.0 as 8.48. The Log BCF of DMT[EHTG] has been estimated by the BCFBAF v3.1 sub-model resident within EPIWIN v4.1 as 4.20. However, the log BCF as a function of log Kow is a bell-shaped curve with peak around log Kow = ~6.5. Thus, as Log Kow values increase beyond 6.5 the bioaccumulation potential decreases. The factors influencing this phenomenon are likely associated with molecular aggregation and/or size exclusions.
For molecules with Log Kow values exceeding 6.0 it has been empirically shown that the relationship between octanol-water partition coefficients and bioaccumulation breaks down (Banerjee and Baughman, 1991). It is hypothesised that these high molecular weight hydrophobic compounds cannot traverse the cellular or gill membrane of aquatic species or lipid membranes for terrestrial species. In addition to molecular weight size exclusions, it is likely that these large hydrophobic molecules are subject to physical-chemical process such as aggregation, flocculation and adsorption to particulates and organic matter that effectively limits bioavailability.
The fish bioconcentration factor was also estimated for DMT[EHTG] using the Base-line model (Dimitrov et al., 2005). The model derives a value of BCFmax from correlation of measured log Kow and values, and adjusts the BCFmax value according to a set of mitigating factors based on molecular size/diameter, ionisation, and potential metabolism by fish to give an estimated, corrected value [BCFcorr]. The estimated log BCFmax and log BCFcorr values were determined for DMT[EHTG] and equalled 2.54 and 0.83, respectively. The BCFcorr value derived from the Base-line BCF model is indicative of a low potential for bioaccumulation of the molecule.
Thus based on the Base-line BCF model estimates it is unlikely that significant bioaccumulation of DMT[EHTG] would occur.
The estimated log Pow (3.7) and estimated log BCFcorr (0.78) of the expected daughter product EHGT also indicate low potential for bioaccumulation in the aquatic/sediment environment.
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