Registration Dossier
Registration Dossier
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EC number: 273-234-6 | CAS number: 68953-96-8 This substance is identified by SDA Substance Name: C11-C13 branched alkyl benzene sulfonic acid calcium salt and SDA Reporting Number: 25-097-06.
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
The calculated log BCF values for all four modeled structures are low. Calculated log BAF values range from very low for the Ca salt to moderate for the Na salt.
Key value for chemical safety assessment
- BCF (aquatic species):
- 3.162 L/kg ww
Additional information
Four representative Branched DDBS structures were modeled: two highly branched, two less branched, of which two were calcium salts and two Na salts. Calculated log BCF for all four modeled structures is low. Calculated log BAF range from very low for the Ca salt to moderate for the Na salt.
- Note that the standard BCF calculation results in the default very low BCF [see Estimated BCF = 0.50 (Ionic; Log Kow dependent)], which happens because the substance is a salt.
- BAF results based on Arnot Gobas methods (described in the ECOSAR model) vary for each substance. The method models for lower, mid and upper trophic level organisms to reflect differences in level of the food chain. The summary table shows the range of results for each substance (the wide range for the Ca reflects differences between trophic levels) and also the differences between using the estimated biotransformation rates versus assuming a biotransformation rate of zero. In general, the Na salts are calculated to have a higher Log BAF than the Ca salts, probably because the Ca is less bioavailable.
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