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EC number: 200-372-6 | CAS number: 58-27-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 05 July 2017. Experimental completion date: 23 August 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
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:
- EU Method A.8 (Partition Coefficient - 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:
- Menadione
- EC Number:
- 200-372-6
- EC Name:
- Menadione
- Cas Number:
- 58-27-5
- Molecular formula:
- C11H8O2
- IUPAC Name:
- 2-methyl-1,4-dihydronaphthalene-1,4-dione
Constituent 1
- Specific details on test material used for the study:
- Identification: Beta-Menadione
CAS No: 58-27-5
Description: light yellow powder
Batch number: J16090701
Purity: 99.2%
Expiry date: 06 September 2017
Storage conditions: room temperature, in the dark
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.43
- Temp.:
- 30 °C
- pH:
- 6.2
- Details on results:
- Preliminary Estimate
The log10 Pow estimate was calculated to be 2.21.
Discussion
The result from the preliminary estimate indicated that the HPLC method was suitable for determination of partition coefficient for this test item.
Several peaks were detected with a retention time between 2 and 6 minutes but were not considered to be the main component of the test item and were therefore not reported.
Any other information on results incl. tables
Partition coefficient of sample
The retention times, capacity factor and log10 Pow value determined for the sample are shown in the following table:
| Injection | Retention Time | Capacity factor (k') | Log10 k' | Log10 Pow | Mean Log10 Pow |
| 1 | 8.285 | 3.44 | 0.537 | 2.43 | 2.43 |
| 2 | 8.287 | 3.44 | 0.537 | 2.43 |
Mean log10 Pow: 2.43
Mean partition coefficient: 269
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item has been determined to be 269, log10 Pow of 2.43.
- Executive summary:
Partition Coefficient. 269, log10 Pow 2.43, using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
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