Registration Dossier
Registration Dossier
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EC number: 211-067-2 | CAS number: 629-03-8
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data collected from modelling - US EPA Tool - KOCWIN v.1.66
Data source
Reference
- Reference Type:
- other: Modelling - EpiSuite v4.1 - US EPA Tool - KOCWin v2.00
- Title:
- Unnamed
- Report date:
- 2012
Materials and methods
- Principles of method if other than guideline:
- EPI Suite™ is a screening-level predictive tool based on SMILE notation. The estimation methods in EPI Suite™ have been developed by government, academic, and private sector researchers over many years and represent some of the best techniques currently available. Moreover, the intended application domain of EPI Suite is organic chemicals which is in line with the test item.
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- log Koc
- Value:
- 2.64
- Remarks on result:
- other: Koc estimate from Molecular Connectivity index
- Type:
- Koc
- Value:
- 436.8
- Remarks on result:
- other: Koc estimate from Molecular Connectivity index
- Type:
- log Koc
- Value:
- 3.445
- Remarks on result:
- other: Koc estimmate from log Kow
- Type:
- Koc
- Value:
- 2 787
- Remarks on result:
- other: Koc estimmate from log Kow
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Remarks:
- Modelling data
- Conclusions:
- Two values of Koc are available from two different calculation methods. According to the accuracy and limitations of these two models, Koc estimate from Molecular Connectivity Index seems more accurate than the Log Kow methodology. In that context, value of logKoc: 2.6403 will be used.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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