Registration Dossier
Registration Dossier
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EC number: 241-510-5 | CAS number: 17501-44-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Jan - Mar 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2016
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- 1996
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Tetrakis(pentane-2,4-dionato-O,O')zirconium
- EC Number:
- 241-510-5
- EC Name:
- Tetrakis(pentane-2,4-dionato-O,O')zirconium
- Cas Number:
- 17501-44-9
- Molecular formula:
- C20H28O8Zr
- IUPAC Name:
- 2,4,8,8,10,10,13,15-octamethyl-1λ³,5λ³,7λ³,7λ³,11λ³,11λ³,12λ³,16λ³-octaoxa-6-zirconadispiro[5.5⁶.5⁶.5⁶]henicosa-1,4,7,7,10,10,12,15-octaene-6,6,6,6-tetrakis(ylium)-3,9,9,14-tetraide
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Identification: Zirconium (IV) acetylacetonate (Zr-acac)
- Description: White to off-white powder
- Storage conditions: At room temperature
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.2
- Temp.:
- 20 °C
- pH:
- 7.1
- Remarks on result:
- other: based on acetylacetone analysis
- Key result
- Type:
- Pow
- Partition coefficient:
- 1.75
- Temp.:
- 20 °C
- pH:
- 7.1
- Remarks on result:
- other: based on acetylacetone analysis
- Type:
- log Pow
- Partition coefficient:
- < 0.12
- Temp.:
- 20 °C
- Remarks on result:
- other: based on Zr-ion analysis
- Type:
- Pow
- Partition coefficient:
- < -0.93
- Temp.:
- 20 °C
- Remarks on result:
- other: based on Zr-ion analysis
- Details on results:
- - Concentration analysed in the stock solution: nominal concentration of 1.58 g/L, based on acetylacetone analysis; nominal concentration of 2.00 g/L, based on Zr-ion analysis.
- Nominal quantity of the substance in each test sample: 3.16 mg (based on acetylacetone analysis); 4 mg (based on Zr-ion analysis).
- Recovery (range) for the test samples: 106% - 110% (based on acetylacetone analysis); 92% - 110% (based on Zr-ion analysis).
- The log Pow values were within the criterion range of ± 0.3 log units (see table below)
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the substance at pH 7 and 20°C was determined to be 0.2 (based on acetylacetone analysis).
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