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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2003-03-31 to 2003-05-21
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)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 5.7
Temp.:
25 °C
Remarks on result:
other: pH: Not relevant






















































































Reference substance



I.Inj. tR in min



2. Inj. tR in min



3. Inj. tR in min



mean tR in min



k



logk



log Pow



Acetophenone



1.50



1.50



1.50



1.500



0.3473



-0.4593



1.7



Methylbenzoate



1.77



1.77



1.77



1.770



0.5898



-0.2293



2.1



Phenylbenzoate



2.70



2.70



2.70



2.700



1.4251



0.1539



3.6



Biphenyl



4.24



4.24



4.24



4.240



2.8084



0.4485



4.0



Phenanthrene



6.54



6.54



6.55



6.543



4.8772



0.6882



4.5



Triphenylamine



9.01



9.00



9.01



9.007



7.0898



0.8506



5.7



Substance for determination of t0



 



Formamide



1.12



1.11



1.11



1.113



 



Regression equation : log k = a + b * log Pow Parameter: a = - 0.9755, b = 0.3382, r = 0.982


 


























 



1.Inj.tR in min



2. Inj. tR in min



3. Inj. tR in min



mean tR in min



k



logk



log Pow



test item



38.80



38.85



38.93



38.860



33.904



1.5303



7.41



The retention time of the test item is outside of the calibration range. The extrapolation of the partition coefficient to a value outside the calibration range is not recommended. Thus, the partition coefficient of the test item at 20 °C can be estimated to be higher than the value of the reference item Triphenylamine: log Pow > 5.7.

Conclusions:
The log Pow was found to be > 5.7 at 25 °C.
Executive summary:

A study was conducted according to OECD Guideline 117 using the HPLC method. The retention time of the test item is outside of the calibration range. The extrapolation of the partition coefficient to a value outside the calibration range is not recommended. Thus, the partition coefficient of the test item at 25 °C can be estimated to be higher than the value of the reference item Triphenylamine: log POW > 5.7.

Description of key information

The log Pow value of the test item was determined to be > 5.7 (reference 4.7-1).

Key value for chemical safety assessment

Additional information

A study was conducted according to OECD Guideline 117 using the HPLC method. The retention time of the test item is outside of the calibration range. The extrapolation of the partition coefficient to a value outside the calibration range is not recommended. Thus, the partition coefficient of the test item at 25 °C can be estimated to be higher than the value of the reference item Triphenylamine: log Pow > 5.7.