Registration Dossier
Registration Dossier
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EC number: 821-898-8 | CAS number: 39931-87-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- (5´R,8´S,10´R,13´S,14´S)-13´-methyl-1´,2´,6´,7´8´,12´,13´,14´,15´,16´-decahydro-17´H-spiro[1,3-dioxolane-2,3´-[5,10]epoxycyclopenta[a]phenantren]-17´-one
- EC Number:
- 821-898-8
- Cas Number:
- 39931-87-8
- Molecular formula:
- C20H26O4
- IUPAC Name:
- (5´R,8´S,10´R,13´S,14´S)-13´-methyl-1´,2´,6´,7´8´,12´,13´,14´,15´,16´-decahydro-17´H-spiro[1,3-dioxolane-2,3´-[5,10]epoxycyclopenta[a]phenantren]-17´-one
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.7
- Temp.:
- 30 °C
- pH:
- 5
- Details on results:
- The partition coefficient (P) n-octanol/water is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase (n-octanol and water) system consisting of two largely immiscible solvents. It is dimensionless and is usually given in the form of its logarithm to base ten.
The reverse phase HPLC method covers logPow in the range of 0 to 6. This method may require an estimation of Pow to assign suitable reference substances. Quantitative analytical methods are not required and only the determination of retention times is necessary.
Dead-time measured by Thiourea was 0.833 minutes.
In order to correlate the calculated capacity factor k of test item with its logPow, a calibration graph using six reference substances were used. The value of partition coefficient of Ketoketal-epoxide (CAS No. 39931-87-8) was determined by Microsoft Office Excel 2013. The following value was calculated: logPow= 2.7
Applicant's summary and conclusion
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