Registration Dossier
Registration Dossier
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EC number: 201-081-7 | CAS number: 78-08-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The result was obtained by an appropriate predictive method.
- Principles of method if other than guideline:
- The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
The model is an adaptation of the existing SRC model KOWWIN v1.67, which is a component of the EPIWIN Suite (EPIWIN 2009 and Meylan 1995). It is based on fragment values. That is, the chemical structure is broken down into its constituent functional groups, and the contribution of each group toward the overall partition coefficient is calculated. Certain correction factors may also apply. Whilst this method is good in principle, it suffers from not having reliable fragment values for substances containing Si-O bonds; hence, some re-parameterisation has been explored. The constants used within WATER-NT have been derived by SRC from a wide range of organic chemicals. - GLP compliance:
- no
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3
- Temp.:
- 20 °C
- pH:
- 7
- Conclusions:
- An octanol-water partition coefficient value of 3.0 was obtained using an accepted calculation method. The result is considered to be reliable.
Reference
Description of key information
Log Kow (triethoxyvinylsilane): 3.0 (QSAR)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3
Additional information
The requirement to perform a manual test for partition coefficient is waived on the basis that the parent substance hydrolyses rapidly to form vinylsilanetriol and ethanol.
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