Registration Dossier
Registration Dossier
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EC number: 407-430-1 | CAS number: 3741-80-8 CP22595; SANTOCURE TBS1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
A QSAR based approach was used to estimate the Koc value for TBSI. The QSAR is well documented, with an unambigious algoritm and well underpinned with a large set of testing and training compounds. The log Koc value that was derived is 4.61.
Key value for chemical safety assessment
- Koc at 20 °C:
- 40 600
Additional information
EPI Suite was used to calculate the log Koc value. The approach is based on a well documented procedure with a unambigious algoritm and the compound properties well within the range of underlying data on which the QSAR was based. The log Koc is estimated to be 4.61.
This value can be considered to be a realistic worst case as EPI Suite offers a different independent model that is also used to calculate Koc values. This model is considered somewhat more reliable and gives a log Koc value of 6.6. Here the model based on Kow values was chosen as the lower value is more critical in risk assessment for the aquatic environment. The reported value seems reasonable as for 2 -benzothiazolethione, one of the likely hydrolysis products of TBSI, a log Koc between 2.51 and 3.13 was experimentally demonstrated.
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