Registration Dossier
Registration Dossier
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EC number: 279-482-1 | CAS number: 80480-24-6
Partition coefficient
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:
- 2 014
- 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
- 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
Constituent 1
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.
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