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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:
25 May 2018 to 08 August 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 1.8 - <= 3.1
Temp.:
30 °C
Remarks on result:
other: pH not reported
Details on results:
Three distinct peaks were observed for the test item. The corresponding log10Pow values of the shortest and longest retained peaks were 1.8 and 3.1, respectively.

Table 1: Partition Coefficient Results

 Sample

 Deadtime retention time

(minutes)

 Analyte retention time

(minutes)

  Capacity factor, k  Log10k  Log10Pow
Standard Mixture   1.140        
 Acetanilide  -  1.464  0.3  -0.5  1.0
 Nitrobenzene  -  1.930  0.7  -0.2  1.9
 Ethylbenzoate  -  2.276  1.0  0.0  2.6
 Bromobenzene  -  2.680  1.4  0.1  3.0
 Benzylbenzoate  -  3.037  1.7  0.2  4.0
 DDT  -  8.442  6.4  0.8  6.2
 A  1.117  1.742  0.6  -0.3  1.8
   -  2.467  1.2  0.1  3.1
 B  1.114  1.719  0.5  -0.3  1.8
  -   2.425  1.2  0.1  3.1
 Standard Mixture  1.113        
 Acetanilide  -  1.428  0.3  -0.5  1.0
 Nitrobenzene  -  1.884  0.7  -0.2  1.9
 Ethylbenzoate  -  2.226  1.0  0.0  2.6
 Bromobenzene  -  2.622  1.4  0.1  3.0
 Benzylbenzoate  -  2.974  1.7  0.2  4.0
 DDT  -  8.322  6.5  0.8  6.2

Linear regression; y = 3.982x + 2.815, r = 0.9851

x = log10k

y = log10Pow

r = regression coefficient

Conclusions:
The test item was determined to have log10Pow values between 1.8 and 3.1 (Pow values of between 63 and 1300).
Executive summary:

The partition coefficient of the test item was determined in a HPLC method study conducted according to OECD Method 117 and E.U. Method A.8. Three distinct peaks were observed for the test item. The corresponding log10Pow values of the shortest and longest retained peaks were 1.8 and 3.1, respectively. Therefore, the test item was determined to have log10Pow values of between 1.8 and 3.1 (Pow values of between 63 and 1300).

The study is a GLP compliant guideline experimental study and is fully acceptable for assessment of this endpoint.

Description of key information

The test item was determined to have log10Pow values between 1.8 and 3.1 (Pow values of between 63 and 1300).

Key value for chemical safety assessment

Additional information

The log Pow of the test item was determined by HPLC method, following the OECD Method 117 and E.C. Method A.8 guidelines (Dunning 2018).

The study is a GLP compliant, guideline experimental study and is acceptable for assessment of this endpoint.