Registration Dossier
Registration Dossier
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EC number: 700-374-1 | CAS number: 70918-00-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2008
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: quality controlled study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
Materials and methods
- Principles of method if other than guideline:
- The partition coefficient is calculated by dividing the solubility in n-Octanol by the solubility in water.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- ISO9001
- Type of method:
- other: dissolution test
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2,3-Dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanone
- EC Number:
- 700-374-1
- Cas Number:
- 70918-00-2
- Molecular formula:
- C13H16N2O3
- IUPAC Name:
- 2,3-Dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanone
- Details on test material:
- - Name of test material (as cited in study report): N-(1,4-Benzodioxan-2-carbonyl) piperazine base
- Substance type: organic
- Physical state: solid
Constituent 1
Study design
- Analytical method:
- other: dissolution test
Results and discussion
Partition coefficient
- Type:
- Pow
- Partition coefficient:
- 0.103
- Remarks on result:
- other: analysis was done at room temperature; no data on the pH during dissolution is available
- Details on results:
- The partition coefficient calculated by dividing the solubility in n-octanol of 34.4827 g/L by the solubility in water of 333.33 g/L equals 0.10344.
Any other information on results incl. tables
The solubility in n-octanol is 34.4827 g/L and the solubility in water is 333.33 g/L.
All tests were done at room temperature (not explicitly mentioned, oral communication).
The pH of the solutions was neither measured before nor after the test.
Applicant's summary and conclusion
- Conclusions:
- The Pow is 0.10344.
- Executive summary:
The Pow (partition coefficient n-octanol/water) of 2,3-dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanone is 0.10344.
Pow = 0.10344.
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