Registration Dossier
Registration Dossier
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EC number: 274-397-6 | CAS number: 70209-99-3
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2016 - 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- 1. SOFTWARE: KOWWIN
2. MODEL (incl. version number): v 1.68 (September 2010) - Qualifier:
- according to guideline
- Guideline:
- other: technical guidance documents in support of Commission Directive 93/67/EEC on risk assessment for new substances
- Deviations:
- not applicable
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Media:
- other: Not applicable
- Radiolabelling:
- no
- Details on study design: HPLC method:
- Not applicable
- Analytical monitoring:
- not required
- Details on matrix:
- Not applicable
- Details on test conditions:
- Not applicable
- Key result
- Type:
- log Koc
- Value:
- -1.45 dimensionless
- Remarks on result:
- other: QSAR prediction
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The adsorption coefficient (log10 Koc) of the test substance was estimated to be -1.45.
- Executive summary:
Due to the nature of the substance being salt the test substance would not be able to be in its unionised form in the environmental relevant range and the HPLC estimation method is invalid for the ionised form of the acidic functional group, hence the adsorption coefficient of the test substance was estimated using a QSAR technique. The calculation was performed with KOWWIN v 1.68 using a partition coefficient value (log10 Pow) of -4.14, calculated based on the chemical structure. The adsorption coefficient (log10 Koc) of the test substance was estimated to be -1.45.
Reference
Description of key information
The adsorption coefficient (log10 Koc) of the test substance was estimated to be -1.45.
Key value for chemical safety assessment
- Koc at 20 °C:
- 0.035
Additional information
Due to the nature of the substance being salt the test substance would not be able to be in its unionised form in the environmental relevant range, and the HPLC estimation method is invalid for the ionised form of the acidic functional group, hence the adsorption coefficient of the test substance was estimated using a QSAR technique. The calculation was performed with KOWWIN v 1.68 using a partition coefficient value (log10 Pow) of -4.14, calculated based on the chemical structure. The adsorption coefficient (log10 Koc) of the test substance was estimated to be -1.45.
[LogKoc: -1.45]
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