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Physical & Chemical properties

Partition coefficient

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Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2016-06-27 to 2016-06-30
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)
Version / remarks:
2004-04-13
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:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Mr. Klemmt; E-EMD/QR - J55, Batch identification: A14-Q0201

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: ambient temperature


Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.6
Temp.:
23 °C
pH:
6.1
Details on results:
Additionally the solubility of the test item in n-octanol was visually tested. The solubility of the test item in n-octanol was > 10.46 g/L < 58.76 g/L.

 Component

tR [min]

(mean value out of two determinations)

 

 log k´

 

log Pow

 Formamide

 1.6

 

 

 

 2-Butanone

 3.8

 1.39

0.142 

0.3 

 Acetanilide  5.8  2.62 0.418  1.0 
 4-Methylbenzylalcohol  10.8  5.70 0.756  1.6 
 Acetophenone

 17.7

 10.04 1.002  1.7 
 Benzonitrile  19.9  11.41 1.057  1.6 
 Nitrobenzene  32.5  19.20 1.283  1.9 
 Methylbenzoate  40.1  23.97 1.380 2.1 
 Test item  15.7  8.78 0.943  1.6 

Equation: log Pow = 1.3021 log k' + 0.3342

Description of key information

In a GLP-study according to OECD Guideline 117 the partition coefficient of the test substance was determined at logPow = 1.6 at 23 °C at pH 6.1. The value was calculated based on HPLC measurement data.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.6
at the temperature of:
23 °C

Additional information