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EC number: 434-880-6 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted in accordance with international guidelines and in accordance with GLP. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 0.58
- Temp.:
- 22 °C
- pH:
- >= 6.5 - <= 6.8
- Conclusions:
- The partition coefficient of the test item has been determined to be log Pow 0.58 at 22°C
- Executive summary:
Method
The determination was carried out using the HPLC Method, designed to be compatible with Method 107 of the OECD Guidelines for Testing of Chemicals, 12 May 1981.
Conclusion
The partition coefficient of the test item has been determined to be log Pow 0.58 at 22 °C
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The presented data were generated using the (Q)SAR KOWWIN as contibuting data to support read across for this endpoint.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Guideline:
- other: ECHA Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.6: QSARs and Grouping of Chemicals. May 2008.
- Principles of method if other than guideline:
- (KOWWIN Program (v1.67))
- GLP compliance:
- no
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.56
- Remarks on result:
- other:
- Remarks:
- (Q)SAR estimation
- Executive summary:
This prediction was performed to support the read across for the octanol-water partition coefficient endpoint. The prediction was made using the (Q)SAR KOWWIN. The estimated Log Pow is 0.56
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- Refer to Section 13.2 for the read-across justification.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.58
- Temp.:
- 22 °C
- pH:
- >= 6.5 - <= 6.8
- Conclusions:
- Based on read-across assessment, the partition coefficient of the test item has been determined to be log Pow 0.58 at 22°C. The conclusion is considered valid for this substance based on a one-to-one read-across from an analogue substance.
Referenceopen allclose all
Results of partition coefficient
|
|
Pow=Co/Cw |
P=log Pow
|
||
|
|
|
Measured |
Average |
Total Average |
Measurement condition 1 |
a |
4.19 |
0.62 |
0.62 |
0.58 (sd 0.026) |
b |
4.07 |
0.61 |
|||
Measurement condition 2 |
a |
3.60 |
0.56 |
0.56 |
|
b |
3.66 |
0.56 |
|||
Measurement condition 3 |
a |
3.79 |
0.58 |
0.58 |
|
b |
3.77 |
0.58 |
|||
Co : Concentration of test substance in 1 octanol layer (mg/l)
Cw : Concentration of the test substance in water layer (mg/l)
Measured results of pH for the water layers
|
Sample a |
Sample b |
Measurement condition 1 |
6.5 |
6.5 |
Measurement condition 2 |
6.5 |
6.5 |
Measurement condition 3 |
6.6 |
6.8 |
Test Conditions
Added amount of test substance 6.50mg
Measureemnt conditions
|
Measurement condition 1 |
Measurement condition 2 |
Measurement condition 3 |
Volume of 1-octanol saturated with water |
5 |
10 |
20 |
Volume of water saturated with 1-octanol |
30 |
25 |
15 |
Description of key information
log Pow 0.58 at 22 °C (Read Across)
log Pow 0.56 (KOWWIN Program (v1.67))
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.58
- at the temperature of:
- 22 °C
Additional information
Read across for log Pow of 0.58 measured using the flask method, designed to be compatible with Method 107 of the OECD Guidelines for Testing of Chemicals, 12 May 1981 and showing good correlation with an estimated value for the substance.
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