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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
weight of evidence
Study period:
05 Sep - 24 Oct 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
April 13, 2004
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

1
Chemical structure
Reference substance name:
2-heptadecyl-1H-imidazole
EC Number:
245-589-7
EC Name:
2-heptadecyl-1H-imidazole
Cas Number:
23328-87-2
Molecular formula:
C20H38N2
IUPAC Name:
2-heptadecyl-1H-imidazole

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
>= 7.4 - <= 8.5
Temp.:
20 °C
pH:
7.5
Remarks on result:
other: The test substance showed a retention time higher than those of the reference substances.
Remarks:
It was not possible to give a Log Pow result on the test item. In the more concentrated solution, the chromatogram showed a band that start at 25 minutes and end at 55 minutes, corresponding to a Log Pow interval ranging from 7.4 to 8.5.

Any other information on results incl. tables

Calibration line of the reference standards by C18 column

Slope: 3.0576

Intercept: 2.5281

Correlation: 0.9923

R2: 0.9847

 

Calibration line of the reference standards by C8 column

Slope: 3.1204

Intercept: 2.6642

Correlation: 0.9916

R2: 0.9833

 

The calibration reference standards consist of 6 reference substances of known log POW: Ethyl benzoate, Phenyl benzoate, Benzyl benzoate, Dibenzyl, Triphenylamine and 4.4-DDT. The standards chosen had a log POW between 2.6 and 6.5.

 

It was not possible to give a Log POW result on the test item.

In the more concentrated solution, the chromatogram showed a band that start at 25 minutes and end at 55 minutes, corresponding to a Log POW interval ranging from 7.4 to 8.5.

Applicant's summary and conclusion