Registration Dossier

Environmental fate & pathways

Adsorption / desorption

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
adsorption / desorption: screening
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
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:
4
Remarks on result:
other: triethoxy(octyl)silane
Conclusions:
Log Koc value of 4.0 was obtained for the substance using a validated QSAR method. The result is considered to be reliable.

Description of key information

Adsorption/desorption:

log Koc [triethoxy(octyl)silane]: 4.0 (QSAR)

 

log Koc [octylsilanetriol]: 1.6 (calculation)

Key value for chemical safety assessment

Koc at 20 °C:
10 000

Additional information

A predicted log Koc value of 4.0 was obtained for triethoxy(octyl)silane using a validated QSAR estimation method. The result is considered to be reliable and used for assessment purposes.

The substance hydrolyses moderately to form octylsilanetriol and ethanol which have low log Kow values (<3) and thus have low potential for adsorption.

For environmental exposure assessment, adsorption is predicted for the silanol hydrolysis product using the ‘non-hydrophobics’ log Kow-based prediction method for log Koc developed by Sabljić and Güsten (1995) for the European Commission and recommended in EU Guidance.

The relevant equation is:

Log Koc = 0.52 log Kow + 1.02

Therefore, log Koc for silanol hydrolysis product, octylsilanetriol = 1.6

Reference:

Sabljić A and Güsten H (1995). QSARs for soil sorption. in: overview of structure-activity relationships for environmental endpoints. Hermens JLM (ed), report prepared within the framework of the project "QSAR for prediction of fate and effects of chemicals in the environment", an international project of the Environmental Technologies RTD programme (DG XII/D-1) of the European Commission under contract number EV5V-CT92-0211.