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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30 SEP 2005 - 31 JAN 2006
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
Guideline 92/69/EWG 1992
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
> 5.7
Temp.:
25 °C
pH:
6.72
Details on results:
1st determination:
Calibration data:
Regresssion: log Pow = a + b log k'
Parameters: a = - 0,9047, b = 0,2428, r = 0.988

log Pow of the test substance cis-form:
1st injection: tR = 17,26 min
2nd injection: tR = 17,27 min
3rd injection: tR = 17,26 min
mean: tR = 17,263 min
k = 7,0544
logk = 0,8485
log Pow = 7,22

log Pow of the test substance trans-form:
1st injection: tR = 21,15 min
2nd injection: tR = 21,16 min
3rd injection: tR = 21,15 min
mean: tR = 21,153 min
k = 8,8694
logk = 0,9479
log Pow = 7,63

2nd determination:
Calibration data:
Regresssion: log Pow = a + b log k'
Parameters: a = - 0,9076, b = 0,2435, r = 0,988

log Pow of the test substance cis-form:
1st injection: tR = 17,29 min
2nd injection: tR = 17,27 min
3rd injection: tR = 17,27 min
mean: tR = 17,277 min
k = 7,0607
logk = 0,8488
log Pow = 7,21

log Pow of the test substance trans-form:
1st injection: tR = 21,18 min
2nd injection: tR = 21,16 min
3rd injection: tR = 21,16 min
mean: tR = 21,167 min
k = 8,8756
logk = 0,9482
log Pow = 7,62

Mean cis-form: log Pow = 7,22
Mean trans-form: log Pow = 7,63
Conclusions:
The log Pow was found to be > 5.7 (Pow > 5.0E+05).
Executive summary:

The partition coefficient n-octanol/water of the test substance was determined according to the "HPLC method" described in guideline 92/69/EWG, appendix A.8, following GLP. The reference substance with the highest log Pow was triphenylamine (log Pow 5.7). The calculated values ​​for the test object (cis and trans form) were larger. The log Pow was found to be > 5.7 (Pow > 5.0E+05).

Description of key information

The partition coefficient n-octanol/water of the test substance was determined according to the "HPLC method" described in guideline 92/69/EWG, appendix A.8, following GLP. The reference substance with the highest log Pow was triphenylamine (log Pow 5.7). The calculated values ​​for the test object (cis and trans form) were larger. The log Pow was found to be > 5.7 (Pow > 5.0E+05).

Key value for chemical safety assessment

Log Kow (Log Pow):
7.43
at the temperature of:
25 °C

Additional information

Mean (cis-form): log Pow = 7.22

Mean (trans-form): log Pow = 7.63