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Adsorption / desorption

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Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
The prediction is considered sufficient to indicate tat the Koc is high and is therefore assigned reliability 2.
Justification for type of information:
See attached QMRF/QPRF
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
Key result
Sample No.:
#1
Type:
log Koc
Value:
6
Remarks on result:
other: 20 - 25°C (Constituent 1)
Conclusions:
A predicted log Koc of 6.0 at 20 - 25°C was determined for Constituent 1 using a validated predictive method. The result is considered to be reliable.
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Remarks:
The prediction is considered sufficient to indicate tat the Koc is high and is therefore assigned reliability 2.
Justification for type of information:
See attached QMRF/QPRF
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
Key result
Sample No.:
#1
Type:
log Koc
Value:
6
Remarks on result:
other: 20 - 25°C (Constituent 2)
Conclusions:
A predicted log Koc of 6.0 at 20 - 25°C was determined for Constituent 2 using a validated predictive method. The result is considered to be reliable.

Description of key information

Adsorption / desorption: log Koc 6.0 (QSAR) for Constituent 1 and Constituent 2

Key value for chemical safety assessment

Koc at 20 °C:
1 000 000

Additional information

A predicted log Koc of 6.0 at 20-25°C was determined for Constituents 1 and 2 of the submission substance using a validated QSAR estimation method. Although, the substance and the predictions are just outside the applicability domain as stated in the QMRF, the results are considered to be reliable and are used as weight of evidence to indicate that the adsorption potential of the constituents of the submission substance is high.

An attempt was made to estimate the adsorption coefficient of the substance using a High Performance Liquid Chromatography (HPLC) in accordance with OECD Test Guideline 121 (Weissenfield 2004). Log Koc values of 3.2 to 5.3 were obtained for the constituents of the substance. However, the results were disregarded because the use of HPLC is considered not appropriate for silicon-based substances due to possible interaction between the silicon compound and the silica present in the column. In addition, none of the reference substances used in the study contained silicon-type structures.

[LogKoc: 6.0]