Registration Dossier
Registration Dossier
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EC number: 604-604-0 | CAS number: 147770-06-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1999
- 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 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:
- 2-Ethoxy-4-{3-[(S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino]-2-oxo-propyl}-benzoic acid ethyl ester
- EC Number:
- 604-604-0
- Cas Number:
- 147770-06-7
- Molecular formula:
- C29 H40 N2 O4
- IUPAC Name:
- 2-Ethoxy-4-{3-[(S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino]-2-oxo-propyl}-benzoic acid ethyl ester
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 6
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: no pH was measured of the mobile phase because it is neutral (Acetonitrile:HPLC water 60:40)
Applicant's summary and conclusion
- Conclusions:
- In conclusion, the partition coefficient (n-Octanol/Water) of AGEE 623 Amidester was determined to be log Pow = 6 at 20°C +- 1°C using the HPLC method.
- Executive summary:
The determination of the Partition Coefficient (n-Octanol/Water) of AGEE 623 Amidester by High Performance Liquid Chromatography (HPLC) was based on the EEC directive 92/69, Annex V, Part A, Methods for the determination of physico-chemical properties, A.8 “Partition coefficient” (1992); the OECD guideline No. 117, “Partition coefficient (n-Octanol/Water), High Performance Liquid Chromatography (HPLC) method” (1989) and EPA Product Properties Test Guideline OPPTS 830.7570 (1996).
In the present study, the partition coefficient (n-Octanol/Water) of AGEE 623 Amidester was determined using the HPLC method.
The partition coefficient was calculated based on a calibration curve using 7 reference compounds. The difference between the 5 measurements of the reference mixture is less than the given limit of 0.1 log P units, therefore the study is considered to be valid.
In conclusion, the partition coefficient (n-Octanol/Water) of AGEE 623 Amidester was determined to be log Pow = 6 at 20°C +- 1°C using the HPLC method.
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