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EC number: 619-536-7 | CAS number: 68425-57-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018
- 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:
- calculated based on information provided in OECD 107
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- calculated based on information provided in OECD 107
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Name: Phosphoric acid, mixed decyl and octyl esters, compds. with diethanolamine
CAS No.: 68425-57-0
Physical state: white solid at 20 °C (turbid, non-pourable paste)
Batch No.: PU61810016
Re-certification date of batch: 16 June 2018
Purity: 100 % (UVCB)
Moisture, % (KF) 1,2
pH, 10% in dW 7,2
Stability: stable under test conditions
Storage condition of test material: Room temperature, protected from light - Analytical method:
- other: visual inspection
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 0.5 - <= 1.6
- Temp.:
- 20.3 °C
- pH:
- 7
- Remarks on result:
- other: partition coefficient was estimated from the ratio of the solubility of the test item in the pure solvents
- Conclusions:
- The concentration of the test item in the water phase and in the n octanol phase was taken for the calculation of n octanol/water partition coefficient (POW) and its decimal logarithm (log POW). The calculated log POW was between 0.5 and 1.6.
- Executive summary:
The aim of this study was the determination of the partition coefficient n-octanol/water of the test item. The solubility of the test item n-octanol was determined by visual inspection. The concentration of the test item in the water phase and in the n octanol phase was taken for the calculation of n octanol/water partition coefficient (POW) and its decimal logarithm (log POW). The calculated log POW was between 0.5 and 1.6.
Reference
Results
The aim of this study was the determination of the partition coefficient n-octanol/water of the test item. The solubility of the test item n-octanol was determined by visual inspection. Water solubility of the test item was determined in study also by visual inspection. The partition coefficient was calculated as ratio between the solubility in n-octanol and the water solubility. The estimation of the partition coefficient by using the solubilities of the substance in the pure solvents is described in Appendix of EC method A.8 and OECD guideline 107. The water solubility was determined to be much lower than the n-octanol solubility of the test item.
The solubility in n-octanol of the test item was determined at ambient temperature under atmospheric pressure.
Temperature [°C]: 20.3 °C
Solubility range [g/L]: 1-10
Solubility of the test item in ultra-pure water at ambient temperature
Temperature [°C]: ambient
Solubility [mg/L]: 234-293
The concentration of the test item in the water phase and in the n octanol phase was taken for the calculation of n octanol/water partition coefficient (POW) and its decimal logarithm (log POW). The calculated log POW was between 0.5 and 1.6.
Table: Determined solubility of the test item in n-octanol
Test Item [mg] |
Total volume solvent [mL] |
Shaking time [min] |
Observation |
Approximate solubility [g/L] |
99.1 |
0.1 |
10 |
Not dissolved |
- |
99.1 |
0.5 |
10 |
Not dissolved |
- |
99.1 |
1 |
10 |
Not dissolved |
- |
99.1 |
2 |
10 |
Not dissolved |
- |
99.1 |
10 |
10 |
Not dissolved |
- |
99.1 |
100 |
10 |
Not dissolved |
10 |
108 |
100 |
10 |
Not dissolved |
1 - 10 |
| 108 | 100 | 1440 | dissolved | 1 - 10 |
Description of key information
The concentration of the test item in the water phase and in the n-octanol phase was taken for the calculation of n octanol/water partition coefficient (POW) and its decimal logarithm (log POW). The calculated log POW was between 0.5 and 1.6.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.6
- at the temperature of:
- 20.3 °C
Additional information
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