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EC number: 210-039-7 | CAS number: 603-41-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2003-02-06 to 2003-02-07
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP and guideline study however; no data on substance purity was given.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 003
- Report date:
- 2003
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- (1981)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 002/221/2002
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- p,p'-(2-pyridylmethylene)bisphenol
- EC Number:
- 210-039-7
- EC Name:
- p,p'-(2-pyridylmethylene)bisphenol
- Cas Number:
- 603-41-8
- Molecular formula:
- C18H15NO2
- IUPAC Name:
- 4-[(4-hydroxyphenyl)(pyridin-2-yl)methyl]phenol
- Test material form:
- solid
1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.31
- Temp.:
- 22 °C
- pH:
- 7
- Remarks on result:
- other: mean of three different eluent ratios; C.V. 1.02%; variation of log Pow value +- 0.3
Any other information on results incl. tables
Table 1: Calculation of F factor
Standard | Wstd (mg) | Wis (std) (mg) | Astd(std)/ Ais(std) mean of 2 injections | P purity (%) | Factor F |
Standard 1 | 49.8 | 51.5 | 0.6381 | 100.0 | 0.6599 |
Standard 2 | 51.1 | 49.4 | 0.6884 | 100.0 | 0.6655 |
Standard 1 | 49.8 | 51.5 | 0.6333 | 100.0 | 0.6549 |
Standard 2 | 51.1 | 49.4 | 0.6882 | 100.0 | 0.6653 |
|
|
|
| Mean | 0.6614 |
Table 2: Summary table
Sample test | Pow A | Pow B | Log Pow A | Log Pow B | Mean log Pow |
o/w 1:1 | 182.80 | 199.30 | 2.26 | 2.30 | 2.28 |
o/w 1:2 | 226.10 | 209.04 | 2.35 | 2.32 | 2.34 |
o/w 2:1 | 202.90 | 196.41 | 2.31 | 2.29 | 2.30 |
|
|
|
| Mean | 2.31 |
|
|
| Coefficient of variation (CV %) | 1.02 | |
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test material has been determined to be Log Pow 2.31
- Executive summary:
The partition coefficient according to EU A.8 of Oxypicoline RF is Log Pow 2.31.
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