Registration Dossier
Registration Dossier
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EC number: 201-375-5 | CAS number: 81-77-6
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:
- 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- other: OECD Guideline 105, flask method
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.78
- Temp.:
- 20 °C
- Remarks on result:
- other: estimated
- Details on results:
- The n-octanol solubility of the test item at 20.0°C is < 0.3 mg/L which is below the limit of detection.
The Iimit of detection as calculated from the calibration data was stated as final result. - Conclusions:
- The partition coefficient of test substance was estimated to be log Pow= 1.78 at 20°C
Reference
As both solubilities could not be determined explicitly it is not possible to estimate a generally valid log Pow value.
For orientation purposes and for further assessements it can be suggested that the log Pow can be estimated using the results.
Estimation of logPow:
Pow= C(n-octanol) / C(water)= <0.3 mg/L / <0.005 mg/L = 60
logPow= <1.77815
The value of 1.78 is considered as worst-case.
Description of key information
Estimated based on solubility ratio:
Log Pow= 1.78 at 20°C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.78
- at the temperature of:
- 20 °C
Additional information
The log Pow value was estimated based on the solubility ratio. The solubility in n-octanol was determined by flask method according to the OECD Guideline 105 and the concentration was quantified by UV-Vis absorption.
As both solubilities could not be determined explicitly it is not possible to estimate a generally valid log Pow value. But for orientation purposes and for further assessements it can be suggested that the log Pow can be estimated using the results.
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