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EC number: 949-790-7 | CAS number: -
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:
- 11 Feb2019 to 09 Jan 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- April 13, 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- August 1996
- Deviations:
- no
- Principles of method if other than guideline:
- Study Plan Deviation:
According to the study plan, loading rates of 10 mg/L, 100 mg/L, 1000 mg/L and 10000 mg/L should be prepared and tested in the preliminary test of the water solubility.
However, only the loading rate of 10 mg/L was prepared and tested in the preliminary test.
Evaluation: Water solubility is much lower than 10 mg/L. Additional concentrations will not bring further information on when saturation is reached. Therefore this deviation does not affect the outcome and integrity of the study. - GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification: Esacure 3644
Physical Description: Light yellow solid
Purity/Composition: UVCB
Storage Conditions: At room temperature protected from light - Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- > 7.2
- Temp.:
- 35 °C
- pH:
- 7
- Details on results:
- The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of Esacure 3644.
- Conclusions:
- The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of Esacure 3644. Pow = 7.2
- Executive summary:
The HPLC method at neutral pH was applied for the determination of the partition coefficient (Pow) of Esacure 3644. Pow = 7.2
Reference
The Pow and log Pow values of the test item at neutral pH were:
| Pow | log Pow | Peak area (%) | |
| Test item – peak 1 | > 1.6´107 | > 7.2 | 0.45 |
| Test item – peak 2 | > 1.6´107 | > 7.2 | 6.4 |
| Test item – peak 3 | > 1.6´107 | > 7.2 | 3.3 |
| Test item – peak 4 | > 1.6´107 | > 7.2 | 3.3 |
| Test item – peak 5 | > 1.6´107 | > 7.2 | 2.9 |
| Test item – peak 6 | > 1.6´107 | > 7.2 | 0.31 |
| Test item – peak 7 | > 1.6´107 | > 7.2 | 22 |
| Test item – peak 8 | > 1.6´107 | > 7.2 | 6.5 |
| Test item – peak 9 | > 1.6´107 | > 7.2 | 5.1 |
| Test item – peak 10 | > 1.6´107 | > 7.2 | 20 |
| Test item – peak 11 | > 1.6´107 | > 7.2 | 4.3 |
| Test item – peak 12 | > 1.6´107 | > 7.2 | 4.4 |
| Test item – peak 13 | > 1.6´107 | > 7.2 | 13 |
| Test item – peak 14 | > 1.6´107 | > 7.2 | 2.8 |
| Test item – peak 15 | > 1.6´107 | > 7.2 | 2.7 |
| Test item – peak 16 | > 1.6´107 | > 7.2 | 2.3 |
| Test item – peak 17 | > 1.6´107 | > 7.2 | 0.32 |
Description of key information
Study conducted to recognised testing guidelines with GLP certification
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.2
- at the temperature of:
- 35 °C
Additional information
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