Registration Dossier
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EC number: 248-492-8 | CAS number: 27489-62-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1999-07-28 - 1999-08-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 999
- Report date:
- 1999
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- adopted March 30, 1989
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- December 1992
- Principles of method if other than guideline:
- From the structural formula of Trans-4-Aminocyclohexanol, the logarithm of the partition coefficient (n-Octanol/water), log P(ow) was calculated to be -0.4 ((P(ow)= 0.4), using the Rekker calculation method. Allthough the HPLC method is not applicable to Trans-4-Aminocyclohexanol because there is no pH in the applicability range of this method (i.e. pH 2-8) at which the test substance is in the non-ionized form and because the calculated log P(ow) ws < 0, this method was used to confirm the results of the Calculation method.
- GLP compliance:
- not specified
- Type of method:
- other: Rekker calculation method and HPLC method
- Remarks:
- see principles of method if other than guideline
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- trans-4-aminocyclohexan-1-ol
- EC Number:
- 248-492-8
- EC Name:
- trans-4-aminocyclohexan-1-ol
- Cas Number:
- 27489-62-9
- Molecular formula:
- C6H13NO
- IUPAC Name:
- 4-aminocyclohexanol
Constituent 1
- Specific details on test material used for the study:
- Description: white powderbatch 722Purity: not indicated by sponsor; treated as 100% pureTest substance storage: at room temperature in the dark Expiry date: 2000-04-08 (allocated by NOTOX, 1 year after receipt of the test substance)
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- Pow
- Partition coefficient:
- ca. 0.4
- Remarks on result:
- other: temparature and pH are not described
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -0.4
- Remarks on result:
- other: temperature and pH are not described
- Details on results:
- In each of chromatograms of Trans-4-Aminocyclohexanol, there were no other peaks besides the solvent peaks. therefore it was concluded that Trans-4-Aminocclohexanol has no log P(ow) between 0 and 6. This, however, might be due to testing Trans-4-Aminocyclohexanol in its ionized form.
Applicant's summary and conclusion
- Conclusions:
- The results of the method and the HPLC method are in agreement. The result of the Calculation method is reported because the HPLC method could not be performed with the test substance in its non-ionized form as predescribed by the guidelines
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