Registration Dossier
Registration Dossier
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EC number: 607-934-3 | CAS number: 26441-40-7
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:
- 2 019
- Report date:
- 2019
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:
- (4aR,4bS,6aS,7aS,8aS,8bR,8cR)-2-methoxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-dodecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(3H)-one
- EC Number:
- 607-934-3
- Cas Number:
- 26441-40-7
- Molecular formula:
- C21H28O2
- IUPAC Name:
- (4aR,4bS,6aS,7aS,8aS,8bR,8cR)-2-methoxy-4a,6a-dimethyl-4,4a,4b,5,6,6a,7a,8,8a,8b,8c,9-dodecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(3H)-one
- Test material form:
- solid: crystalline
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 5.2
- Temp.:
- 25 °C
- pH:
- 5
- Details on results:
- Determination of the partition coefficient of Cyclopropyl-AD enolether was based on the measurement of retention time of the test and reference items by reverse phase HPLC method. The retention times of the test and reference items were determined in two replicates injecting twice both of them. The test item was dissolved in acetonitrile and diluted in the mobile phase (acetonitrile/ultrapure water (60:40)) to obtain a final concentration of 100 mg/l.
Dead-time measured by Thiourea was 0.842 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.
Applicant's summary and conclusion
- Conclusions:
- The calculated mean logPow of Cyclopropyl-AD enolether: 5.2
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