Registration Dossier
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EC number: 909-082-0 | CAS number: 938065-79-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 October 2004 - 17 January 2005
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study according to GLP, but no recovery for the BOC derivatitsation and no spiked samples to assess recovery
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 005
- Report date:
- 2005
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction mass of 5,12-dihydro-2,9-dimethylquino[2,3-b]acridine-7,14-dione and 5,12-dihydro-2-methylquino[2,3-b]acridine-7,14-dione and 5,12-dihydroquino[2,3-b]acridine-7,14-dione
- EC Number:
- 909-082-0
- Cas Number:
- 938065-79-3
- Molecular formula:
- Unspecified
- IUPAC Name:
- Reaction mass of 5,12-dihydro-2,9-dimethylquino[2,3-b]acridine-7,14-dione and 5,12-dihydro-2-methylquino[2,3-b]acridine-7,14-dione and 5,12-dihydroquino[2,3-b]acridine-7,14-dione
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
- other: UV/VIS spectrometry for n-octanol phase
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 248.577
- Temp.:
- 21 °C
- pH:
- 7.15
- Type:
- log Pow
- Partition coefficient:
- > 2.4
- Temp.:
- 21 °C
- pH:
- 7.15
- Details on results:
- The concentration of the test item in the aqueous phase was below the concentration of the smallest calibration point of 0.0063126 mg/L in all six determinations. All values given are means from six determinations (rounded values):
concentration in n-octanol phase: 1.569 mg/L (mean), 1.532 - 1.590 mg/L (range)
Pow: range: 242.689-251.877, standard deviation: 3.864
log Pow: range: >2.39 - >2.40, standard deviation: 0.007
pH: range: 6.97-7.32 (aqueous phase).
Any other information on results incl. tables
The mass balance was calculated for each of the six test vessels to check the analytical work and yielded recoveries of the test item of 92%, 93%, 94% (one vessel each) and 95% (three vessels).
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (log Pow) of the test item at 21°C was >2.4.
- Executive summary:
The partition coefficient was determined in a guideline study using the flask shaking method with analysis by HPLC and UV/VIS spectrometry. The log Pow was >2.4 at 21°C.
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