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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 29th April 2014 to 2nd December 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: According to the OECD Guideline and it is GLP.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
5-methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane
EC Number:
279-482-1
EC Name:
5-methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane
Cas Number:
80480-24-6
Molecular formula:
C13H26O2
IUPAC Name:
5-methyl-2-(1-methylbutyl)-5-propyl-1,3-dioxane
Details on test material:
- Name of test material (as cited in study report): Troenan
- Physical state: colourless liquid
- Stability under test conditions: This is not the subject of this study.
- Storage condition of test material: At 2-8°C (4°C); protected from light

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
5.68
Temp.:
25 °C
Remarks on result:
other: pH not specified
Type:
log Pow
Partition coefficient:
5.81
Temp.:
25 °C
Remarks on result:
other: pH not specified

Any other information on results incl. tables

No data.

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item was determined according to OECD Guideline 117. Due to the fact that the test item contains two stereo isomers which show two different peaks a weighted average over the log Pow of the two peaks has to be calculated. For the calculation the peak areas of the MS-detection were used. Weighted average log Pow = 5.76.

Executive summary:

The test item was tested according to OECD-Guideline 117 with the “HPLC Method”. According to the definition of the OECD-Guideline 117 the test item shows a log Pow of 5.76. Due to the fact that the test item contains two stereo isomers which show two different peaks a weighted average over the log Pow of the two peaks has to be calculated. For the calculation the peak areas of the MS-detection were used. All validity criteria were met. The correlation coefficient is above 0.9 and the difference between the two measurements is smaller than 0.1 log Pow units.