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EC number: 216-823-5 | CAS number: 1675-54-3
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Log BCF (OASIS CATABOL QSAR estimate): 1.11 +/- 0.75
Key value for chemical safety assessment
- BCF (aquatic species):
- 31 L/kg ww
Additional information
The bioconcentration potential of the two major constituents in the substance and the hydrolysis product have been assessed using a QSAR algorithm as described by Dimitrov et al (2005) and implemented in OASIS CATALOGIC. The model estimates steady state whole fish bioconcentration factor (BCF) based on a maximum BCF and mitigating factors that reduce the BCF. The 'unknowns' do not meet all criteria for domain but the conclusions from the prediction are considered reliable based on the findings for analogues from the training set processed with the unknowns.
Based on the range of accurate predictions as defined by the developer the following BCF are calculated for the constituents of BADGE:
Molecule |
|
log BCFcalc |
BCF |
Constituent 1) |
CC(C)(c2ccc(OCC1CO1)cc2)c4ccc(OCC3CO3)cc4 |
1.11 ± 0.75 |
31 (5.–173) |
Constituent 2) |
CC(C)(c2ccc(OCC1CO1)cc2)c3ccc(cc3)OCC(O)COc4ccc(cc4)C(C)(C)c6ccc(OCC5CO5)cc6 |
1.49 ± 0.75 |
13 (2–72) |
Product of hydrolysis, HP |
OCC(O)COc1ccc(cc1)C(C)(C)c2ccc(OCC(O)CO)cc2 |
0.52 ± 0.75 |
3 (1–19) |
Based on a decision rule derived by the developer of the QSAR model, Bisphenol A diglycidyl ether (BADGE) and the product of hydrolysis are not bioaccumulative with high confidence.
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