Registration Dossier
Registration Dossier
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EC number: 269-084-6 | CAS number: 68187-29-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSAR
- Type of information:
- other: Structural assessment
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The Log soil adsorption coefficient (Log Koc) of the test material was estimated using the Adsorption Coefficient Program (KOCWIN version 2.00, US EPA). However, as the constituents of the test material are Quaternary Ammonium Compounds (QAC’s), the prediction software is not capable of predicting realistic KOC values. As a result, the Koc has been estimated using the EUSES calculation based on the Kow value of the test material.
- GLP compliance:
- no
- Remarks:
- No laboratory work was performed in this study. GLP is therefore not required.
- Type of method:
- other: calculation
- Key result
- Type:
- Koc
- Value:
- 1.58 L/kg
- Remarks on result:
- other: Calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The Koc has been estimated to be 1.58 L/kg.
- Executive summary:
The Log soil adsorption coefficient (Log Koc) of the test material was estimated using the Adsorption Coefficient Program (KOCWIN version 2.00, US EPA). However, as the constituents of the test material are Quaternary Ammonium Compounds (QAC’s), the prediction software is not capable of predicting realistic Kocvalues.
As a result, the Koc has been estimated using the EUSES calculation based on the Kow value of the test material.
The Koc for the test material has been calculated to be 1.58 L/kg.
Reference
RESULT
The Log Kow of the test material is -1.58 (weighted average value)
The Kow of the test material is 0.0263.
Koc is derived from Kow as below:
Koc = [(10.47 x 0.0263^0.52) / 1000] = 0.00158 m^3/kg
Koc = 1.58 L/kg
Description of key information
The Koc for the test material has been calculated to be 1.58 L/kg.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1.58
Additional information
The soil adsorption coefficient (Koc) of the test material was estimated using the Adsorption Coefficient Program (KOCWIN version 2.00, US EPA). However, as the constituents of the test material are Quaternary Ammonium Compounds (QAC’s), the prediction software is not capable of predicting realistic Koc values.
As a result, the Koc has been estimated using the EUSES calculation based on the weighted average Kow value of the test material.
The Koc for the test material has been calculated to be 1.58 L/kg.
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