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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

Bioaccumulation in organisms is not to be expected.

Key value for chemical safety assessment

Additional information

No study on the bioaccumulation of the test substance in organisms is available. Because of the multi-constituent nature of the substance each test substance component has been examined separately with help of model calculations for logPow. Subsequently, the accumulation potential of the test substance in organisms was derived from the outcomes of the evaluation of its components.

The following logPow values of the uncharged molecules were determined by EpiWin calculations (SRC KOWWIN v2.00):

CAS 104-75-6: logPow = 2.73

CAS 102-71-6: logPow = -2.48

CAS 6975-33-3: logPow = 3.22

For the charged molecules, logD values were calculated using SPARC On-Line Calculator v4.6 which resulted in the following pH-dependent logDs:

 

pH5

pH7

pH9

CAS 104-75-6

-1.17

-1.03

0.42

CAS 102-71-6

-5.71

-3.78

-2.85

CAS 6975-33-3

1.52

0.29

0.21

 

These results demonstrate that under environmental conditions (pH from 5 to 9), where the three test substance components are mostly present in their charged forms, the potential for bioaccumulation is low for each one of them. Since the test substance is composed mainly of these three constituents, bioaccumulation is not expected for the test substance as well.