Registration Dossier
Registration Dossier
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EC number: 204-578-7 | CAS number: 122-84-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 27 July to 16 October 2000
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was conducted in GLP compliance and in accordance with several internationally established guidelines (OECD, EEC, EPA, see below).
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2000
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- yes
- Remarks:
- Acetonitril/water was used as mobile phase instead of methanole/water as given in the guidelines
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- TH 1165 I
- IUPAC Name:
- TH 1165 I
- Test material form:
- other: liquid
- Details on test material:
- - Name of test material (as cited in study report): TH 1165 I
- Chemical Name: (4-Methoxyphenyl)-aceton
- Physical state: yellow liquid
- Analytical purity: 99.01 %
- Purity test date: 6. march 2000
- Lot/batch No.: 14
- Stability: Can be requested from the sponsor
- Storage condition of test material: at room temperature
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 1.9
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: standard pH value assumed
Any other information on results incl. tables
Capacity Factor k' and log Pow of the Test Item
| Compound | Replicates | Retention Time1 [min] | Capacity Factor2 | log k' | log Pow3 |
| TH1165 I | 3 | 4.9 | 1.6 | 0.20 | 1.9 |
| TH1165 I | 3 | 4.9 | 1.6 | 0.20 | 1.9 |
| TH1165 I | 3 | 4.9 | 1.6 | 0.20 | 1.9 |
| mean value | 4.9 | 1.6 | 0.20 | 1.9 |
1 mean value of three measurements, values represent rounded calculated from the exact raw data
2 calculated according equation (1)
3 calculated from regression data
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the test material was calculated to be 1.9 at 25°C .
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