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Partition coefficient

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Endpoint:
partition coefficient
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:
QSAR prediction
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
GLP compliance:
no
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4
Temp.:
20 °C
pH:
ca. 7
Conclusions:
An octanol-water partition coefficient value of 4.0 was obtained using an accepted calculation method. The result is considered to be reliable.
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
supporting 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:
QSAR prediction
Principles of method if other than guideline:
The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
The result was obtained using an appropriate QSAR method which has been validated for use with silanols (PFA 2009).
GLP compliance:
no
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.9
Temp.:
20 °C
pH:
ca. 7

The test material is the hydrolysis product of the submission substance. The submission substance hydrolyses rapidly; therefore, the partition coefficient of the hydrolysis product is more relevant than of the submission substance.

 

Conclusions:
An octanol-water partition coefficient value of 0.9 was obtained using an accepted calculation method. The result is considered to be reliable.

Description of key information

Log Kow (trimethoxy(2,4,4-trimethylpentyl)silane): 4 (QSAR)
Log Kow ((2,4,4-trimethylpentyl)silanetriol): 0.9 (QSAR)
Methanol: Log Kow -0.82 to -0.64 (measured)

Key value for chemical safety assessment

Additional information

The requirement to test the substance for partition coefficient is waived on the basis that the parent substance hydrolyses rapidly.

Log Kow values of 4 and 0.9 were obtained for the parent substance and the silanol hydrolysis product respectively using an appropriate calculation method.

 

The measured log Kowof methanol is -0.82 to -0.64 (OECD 2004).