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EC number: 859-869-7 | CAS number: 201419-80-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- adopted July 27, 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Test item: 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide
CAS No.: 201419-80-9
Lot number: AZ08AVL1
Purity: > 99.9 %
Appearance: crystalline solid, white
Expiration date: 21 September 2021
Storage conditions: room temperature, protected from humidity, well-closed container - Analytical method:
- liquid chromatography
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 0.79
- Temp.:
- 20 °C
- pH:
- >= 8.42
- Conclusions:
- The purpose of this study was to determine the partition coefficient of 2,4,8,10-Tetraoxa-
3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide.
In conclusion, the partition coefficient (Pow) of 2,4,8,10-Tetraoxa-3,9-
dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide was determined to be 6.10 ± 0.1511 (95 %
confidence interval) at 20 °C, which corresponds to log Pow of 0.79 using the shake flask
method. - Executive summary:
Determination of the Partition Coefficient of 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide based on Commission Regulation (EC) No 440/2008, Part A, A.8. "Partition Coefficient", Official Journal of the European Union L 142 of 31 May 2008 Organisation for Economic Co-operation and Development (OECD), OECD Guidelines for the Testing of Chemicals, Guideline No. 107, “Partition Coefficient (n-octanol/water): Shake Flask Method”, adopted July 27, 1995 Product Properties Test Guidelines OPPTS 830.7550 Partition Coefficient (n-Octanol/Water), Shake Flask Method, August 1996.
The purpose of this study was to determine the partition coefficient of 2,4,8,10-Tetraoxa-
3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide.
In conclusion, the partition coefficient (Pow) of 2,4,8,10-Tetraoxa-3,9-
dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide was determined to be 6.10 ± 0.1511 (95 %
confidence interval) at 20 °C, which corresponds to log Pow of 0.79 using the shake flask
method.
Reference
Description of key information
The purpose of this study was to determine the partition coefficient of 2,4,8,10-Tetraoxa-
3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide.
In conclusion, the partition coefficient (Pow) of 2,4,8,10-Tetraoxa-3,9-
dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide was determined to be 6.10 ± 0.1511 (95 %
confidence interval) at 20 °C, which corresponds to log Pow of 0.79 using the shake flask
method.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.79
- at the temperature of:
- 20 °C
Additional information
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