Registration Dossier
Registration Dossier
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EC number: 606-548-2 | CAS number: 204254-84-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2006-04-12 to 2006-05-12
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in compliance with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive and done to a valid guideline.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 006
- Report date:
- 2006
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Remarks:
- Used as Preliminary test
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Remarks:
- The shake flask method was used as a preliminary test
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
- EC Number:
- 606-548-2
- Cas Number:
- 204254-84-2
- Molecular formula:
- C13 H20 O7 S
- IUPAC Name:
- Ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
- Test material form:
- other: solid
- Details on test material:
- White to beige solid
Purity 99.2%
Expiry date 21 December 2006
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.2
- Temp.:
- 25 °C
- pH:
- 6.9
- Details on results:
- The test item solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected twice.
Applicant's summary and conclusion
- Conclusions:
- The n-octanol / water partition coefficient (log Pow) of the test item was calculated using regression curve (log k' vs. log Pow) and was found to be 2.2.
- Executive summary:
During the preliminary test, the log Pow of the test item was estimated to be 1.1. Thus the HPLC-method was chosen to conduct the main test. Six common standards, which have known log Pow values in the range of 1.6 to 3.4, were used as reference standards during the main test.
The test item solution was injected three times and the combined reference solution was injected six times. The thiourea solution was injected twice.
The n-octanol / water partition coefficient (log Pow) of the test item was calculated using regression curve (log k' vs. log Pow) and was found to be 2.2.
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