Registration Dossier
Registration Dossier
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EC number: 947-589-9 | CAS number: -
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:
- From November 13, 2015 to February 11, 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Principles of method if other than guideline:
- The calculation of the partition coefficient of test substance was based on the determinations of solubility in 1-octanol and water. The log Pow was calculated according to the equation: Pow = solubility of test substance in 1-octanol/solubility of test substance in water at 20°C.
- GLP compliance:
- not specified
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Batch no.: RE 10-7
- Analytical method:
- other: Computational approach
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.56
- Temp.:
- 20 °C
- pH:
- 7.5
- Remarks on result:
- other: pH: from water solubility report
- Key result
- Type:
- Pow
- Partition coefficient:
- 3 666.67
- Temp.:
- 20 °C
- pH:
- 7.5
- Remarks on result:
- other: pH: from water solubility report
- Details on results:
- - Solubility of test substance in 1-octanol (20°C): > 2200 g/L (ref: report 15-16805/1-3)
- Water solubility of the test substance (20°C): 600 mg/L (ref: report 16-00770/1-8)
The partition coefficient was calculated according the equation:
- Pow = (solubility of test substance in 1-octanol (in g/L))/ (solubility of test substance in water (in g/L))
= 2200/0.600
= 3666.67
- Log Pow = 3.56 - Conclusions:
- Under the study conditions, the partition coefficient of the substance was determined to be 3.56 (Log Pow) at 20°C.
- Executive summary:
A calculation was conducted to determine the partition coefficient of the substance. The calculation of the partition coefficient was based on the determination of its solubility in 1-octanol and water. Indeed, in case of substances for which it is technically not feasible to measure an octanol-water partition coefficient by OECD 107, the partition coefficient is determined from the individual solubilities in water and in 1-octanol. The water and 1-octanol solubilities of the test substance were previously determined under references 16 -00770/1-8 and 15 -16805/1-3, respectively. Under the study conditions, the partition coefficient of the substance was determined to be 3.56 (Log Pow) at 20°C (Seiler, 2016).
Reference
Description of key information
The partition coefficient was determined from the ratio of solubility in n-octanol and water according to OECD Guideline 107 and similar to EU Method A.8 (Seiler, 2016).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.56
- at the temperature of:
- 20 °C
Additional information
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