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EC number: 219-842-7 | CAS number: 2550-02-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 05 December 2011- 24 March 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- (1995)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- Type:
- log Pow
- Partition coefficient:
- 3.1
- Temp.:
- 20 °C
- pH:
- 8.1
- Details on results:
- A small response was observed in the chromatograms for the aqueous phase of the blank mixture. The maximum contribution to the other water samples based on area was 0.2%. No test substance was detected in the pretreated samples from the blank mixture in the n-octanol phase.
- Conclusions:
- A log Pow value of 3.1 at 20°C was determined in a reliable study conducted according to an appropriate test protocol, and in compliance with GLP.
- 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:
- 3.2
- Conclusions:
- An octanol-water partition coefficient value of 3.2 was obtained using an accepted calculation method. The result is considered to be reliable.
Referenceopen allclose all
Table: Resuls Powof the test substance
Ratio |
Analysed concentration |
Pow |
log Pow |
pH |
||
n-octanol |
water |
individual |
mean |
|||
|
|
|
|
|
|
|
1:1 |
0.204 |
0.000164 |
1.2*103 |
1.2*103 |
3.1 |
8.1 |
|
0.183 |
0.000171 |
1.1*103 |
|
3.0 |
8.1 |
1:2 |
0.271 |
0.000252 |
1.1*103 |
1.1*103 |
3.0 |
8.1 |
|
0.291 |
0.000239 |
1.2*103 |
|
3.1 |
8.1 |
2:1 |
0.148 |
0.000140 |
1.1*103 |
1.2*103 |
3.0 |
8.1 |
|
0.155 |
0.000109 |
1.4*103 |
|
3.2 |
8.1 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Mean |
1.2*103 |
|
3.1 |
|
||
Standard deviation |
1.4*102 |
|
|
|
||
|
|
|
|
|
|
|
Estimated value, no data available for temperature and pH
Description of key information
Log Kow (triethoxypropylsilane): 3.1 (measured)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.1
- at the temperature of:
- 20 °C
Additional information
The log Kow value of 3.1 at 20°C was determined by shake flask method according to EU Method A.8 for the parent substance. This is supported by a predicted log Kowvalue of 3.2 obtained using an appropriate calculation method.
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