Registration Dossier
Registration Dossier
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EC number: 201-280-9 | CAS number: 80-46-6
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The European Union System for the Evaluation of Substances (EUSES) model was used to estimate adsorption for p-tert-amylphenol. Using the measured log Kow of 3.6, a Koc of 1470 L/kg was estimated.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1 470
Additional information
No reliable measured absorption (Koc) values are available for p-tert-amylphenol. However, modeled Koc values have been predicted using quantitative structure– activity relationships (QSARs), based on Kow.
The European Union System for the Evaluation of Substances (EUSES) model was used to estimate adsorption for p-tert-amylphenol. Using the measured log Kow of 3.6, a Koc of 1470 L/kg was estimated.
The Environmental Risk Assessment Report:4-tert-pentylphenol (CAS no. 80-46-6) (Environment Agency, 2008) (RAR) provides a modeled Koc value of 2,300 L/kg, estimated by using the EUSES 2.03 program and a log Kow of 4.0. The RAR states “Given that the log Kow used for the estimate (4.0) might be an upper limit (see Section 1.3.7), the Koc has also been predicted using molecular connectivity indices for comparison (these are based on molecular structure only). The predicted Koc is 3,799 L/kg using the PCKOCWIN v1.66 model (US EPA, 2007a) and SMILES input. The accuracy of the prediction is unknown, but it is very similar to the value predicted by EUSES.” The RAR uses the Koc of 2,300 L/kg for the risk assessment.
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