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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From August 2017 to May 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:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: EU Method A.24
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Appearance: Pink liquid
- Test item storage: At room temperature protected from light
- Purity/Composition correction factor: No correction factor required
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.8
Temp.:
20 °C
pH:
7
Type:
Pow
Partition coefficient:
6 300
Temp.:
20 °C
pH:
7

HPLC Method

In the chromatogram of the test solution, one major test item peak was observed. The results of the HPLC method are given in the table below.

 Substance

Retention time (min)

tr,1 / tr,2 

  Log Pow Pow 
 Formamide (t0)  0.626 / 0.626    

Benzylalcohol

Nitrobenzene

Toluene

1,4-Dichlorobenzene

Biphenyl

Dibenzyl

Triphenylamine

4,4'-DDT

0.807 / 0.803

0.992 / 0.986

1.572 / 1.557

2.034 / 2.008

2.725 / 2.682

4.535 / 4.444

8.312 / 8.142

12.095 / 11.904 

1.1

1.9

2.7

3.4

4.0

4.8

5.7

6.5 

  
Test item - Peak 1   2.393 / 2.391 3.8  6300 
Conclusions:
The n-octanol/water partition coefficient Pow of the test item at neutral pH was 6300 (log Pow = 3.8).
Executive summary:

The n-octanol/water partition coefficient Pow of the test item was determined in a GLP-compliant study performed in accordance with EC A.24 Method and OECD Guideline No. 117, using the HPLC method. The n-octanol/water partition coefficient Pow of the test item at neutral pH was 6300 (log Pow = 3.8).

Description of key information

The n-octanol/water partition coefficient Pow of the test item was determined in a GLP-compliant study performed in accordance with EC A.24 Method and OECD Guideline No. 117, using the HPLC method. The n-octanol/water partition coefficient Pow of the test item at neutral pH was 6300 (log Pow = 3.8).

Key value for chemical safety assessment

Log Kow (Log Pow):
3.8

Additional information

The n-octanol/water partition coefficient Pow of the test item was determined in a GLP-compliant study performed in accordance with standard methods, without deviations. The study is considered as reliable (Klimisch 1) and is selected as a key study for the endpoint.