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Partition coefficient

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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).
GLP compliance:
no
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-1
Temp.:
20 °C

Estimated value, no data available for pH.

Conclusions:
An octanol-water partition coefficient value of -1.0 was obtained for the hydrolysis product using an accepted calculation method. The result is considered to be reliable.
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:
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:
1.4
Temp.:
20 °C
pH:
7

Estimated value, no data available for pH.

Conclusions:
An octanol-water partition coefficient value of 1.4 was obtained for the test substance using an accepted calculation method. The result is considered to be reliable.

Description of key information

N-[3-(dimethoxymethylsilyl)-2-methylpropyl]ethylenediamine: Log Kow 1.4 at 20°C (QSAR)
Silanol hydrolysis product: Log Kow -1 at 20°C (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.

N-[3-(dimethoxymethylsilyl)-2-methylpropyl]ethylenediamine: A log Kow value of 1.4 at 20°C was obtained for the substance using an appropriate calculation method.

 

Hydrolysis product (N-[3-(dihydroxymethylsilyl)-2-methylpropyl]ethylenediamine): A log Kow value of -1.0 at 20°C was obtained for the silanol hydrolysis product using an appropriate calculation method.

 

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