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EC number: 202-494-5 | CAS number: 96-26-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 09/08-11/08
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1,3-dihydroxyacetone
- EC Number:
- 202-494-5
- EC Name:
- 1,3-dihydroxyacetone
- Cas Number:
- 96-26-4
- Molecular formula:
- C3H6O3
- IUPAC Name:
- 1,3-dihydroxyacetone
- Details on test material:
- Purity: 100.2 %
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- -1.95
- Temp.:
- 20 °C
- Remarks on result:
- not measured/tested
- Remarks:
- pH was not measured
Any other information on results incl. tables
According to the preliminary test the solubility of the test item in n-octanol is between 1.52 g/l and 5.33 g/l.The partition coefficient POW was estimated from the saturation concentrations in n-octanol and water. The saturation concentration of the test item in water was given by the main test of project 20080630.01 (please refer to 4.8): at 20°C the water solubility cS was determined to (without correction of the purity): cSwater = 930 g/l. The n-octanol solubility cSoctanol of the test item at a temperature of 20°C was determined to (without correction of the purity): cSoctanol = 10.5 g/l
From the individual solubilities the log POW can be calculated:
POW= 10.5 g/l / 930 g/l
POW= 0.01129
log POW = - 1.95
A standard solution was analysed one day after preparation and showed a recovery value of 97.9 %. This observation indicates a good stability of the test item over this time period.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient n-octanol/water of the test item at 20 °C, performed according to the flask method (individual solubilities in water and n-octanol), was determined to: log POW = - 1.95
- Executive summary:
The partition coefficient of DHA in n-octanol and water was determined according to OECD 107. Considering the maximum solubilities in n-octanol and water the log POW is -1.95.
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