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EC number: 700-292-6 | CAS number: 135043-68-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Follows a recognised guideline and performed to GLP standards.
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:
- EU Method A.8 (Partition Coefficient)
- 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:
- trisodium 6,6',6"-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoate
- IUPAC Name:
- trisodium 6,6',6"-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoate
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 0
- Temp.:
- 22.2 °C
- pH:
- ca. 7
- Type:
- log Pow
- Partition coefficient:
- -4.23
- Temp.:
- 22.2 °C
- pH:
- ca. 7
- Details on results:
- Preliminary test - Approximate solubility in n-octanol: <1.04 g/l; Approximate solubility in water: >1.26 g/l; Approximate Pow: <0.85; Log Pow: <-8.33E-2.
Definitve test - see tables below.
Any other information on results incl. tables
Total weight and analysed concentration of the respective phases:
| Sample number | Volume of water saturated n-octanol (ml) | Volume of stock solution (ml) | Total weight (mg)# | Organic phase | Aqueous phase | |||
| Analysed concentration (mg/l) | Weight (mg)* | Analysed concentration (mg/l) | Weight (mg)* | pH | ||||
| 1 | 375 | 15 | 73.4 | 0.328 | 0.123 | 5.03E+03 | 75.5 | 7.2 |
| 2 | 375 | 15 | 73.4 | 0.357 | 0.134 | 5.68E+03 | 85.3 | 7.1 |
| 3 | 325 | 26 | 127 | 0.282 | 0.0916 | 5.02E+03 | 131 | 7.1 |
| 4 | 325 | 26 | 127 | 0.255 | 0.0829 | 5.05E+03 | 131 | 7.1 |
| 5 | 275 | 44 | 215 | 0.367 | 0.101 | 4.95E+03 | 218 | 7.1 |
| 6 | 375 | 60 | 293 | 0.24 | 0.0899 | 5.04E+03 | 303 | 7.1 |
# From the analysis of the stock solution.
* From the analysis of the respective phase.
Partition coefficient determined for each sample:
| Sample number | n-Octanol/water volume ratio | Partition coefficient | Log10 Pow | Mean Partition Coefficient |
| 1 | 25.1 | 6.51E-05 | -4.19 | 6.40E-05 |
| 2 | 6.29E-05 | -4.20 | ||
| 3 | 25.2 | 5.61E-05 | -4.25 | 5.33E-05 |
| 4 | 5.05E-05 | -4.30 | ||
| 5 | 25.4 | 7.42E-05 | -4.13 | 6.09E-05 |
| 6 | 4.76E-05 | -4.32 |
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of trisodium 6,6',6"-(1,3,5-triazine-2,4,6-triyltriimino)trihexanoate has been determined to be 5.94E-5 at 22.2 +/- 0.5 C, log Pow -4.23.
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