Registration Dossier
Registration Dossier
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EC number: 295-173-4 | CAS number: 91845-03-3
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 03.07.2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Calculated
- Qualifier:
- according to guideline
- Guideline:
- other:
- Version / remarks:
- Partition coefficient calculated from solubilities in water and 1-octanol
- Principles of method if other than guideline:
- As suggested in OECD Guideline 107, the partition coefficient is then determined from the individual solubilities in water and 1-octanol (see also “Guidance on Information Requirements and Chemical Safety Assessment Chapter R.7a: Endpoint specific guidance”, Version 4.1, October 2015, page 61ff).
- GLP compliance:
- no
- Other quality assurance:
- other:
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and package No.of test material: lot #19953859
- Expiration date of the lot/batch: 16.01.2020 - Analytical method:
- other: Calculation from solubilities in water and 1-octanol
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 5.9
- Temp.:
- 20 °C
- pH:
- ca. 7 - ca. 7
- Details on results:
- The partition coefficient of the test item is calculated from the individual solubilities of the test item in water and n-octanol, respectively.
- Conclusions:
- log(Pow) > 5.9
- Executive summary:
The partition coefficient of the test item was calculated from the individual solubilities in 1 -octanol and water at 20°C, respectively. The log(Pow) value can be reported as >5.9.
Reference
Calculation of log(Pow)
| n-Octanol solubility [mg/l] | 150200 |
| Water solubility [mg/l] | 0.195 |
| Pow | 770256.41 |
| log(Pow) | >5.9 |
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.9
- at the temperature of:
- 20 °C
Additional information
log(Pow) >5.9
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