Registration Dossier
Registration Dossier
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EC number: 280-472-4 | CAS number: 83524-75-8
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:
- 2011
- 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
- Principles of method if other than guideline:
- Estimation based on individual solubilities
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.6
- Temp.:
- 20 °C
- Remarks on result:
- other: pH value not reported
- Details on results:
- The n-octanol solubility of the test item is 0.040 ± 0.001 mg/L at 20°C.
- Conclusions:
- The partition coefficient of the test substance was estimated to be log Pow= 1.6 at 20°C.
Reference
Estimation of log Pow:
With a water solubility of <0.002 mg/L and a solubility of 0.040 mg/L in n-octanol, the log Pow can be estimated from the single solubilities as:
Pow= C(n-octanol) / C(water)= 40 µg/L / <2 µg/L = >20
log Pow= >1.30
Since the water solubility of <2µg/L was estimated below the limit of detection therefore it can be suggested that the water solubility of 1 µg/L is possibly the lowest measurable concentration and is used as worst-case for the estimation of the log Pow value.
Pow= C(n-octanol) / C(water)= 40 µg/L / 1 µg/L = 40
log Pow= 1.6
Description of key information
Estimated based on solubility ratio:
log Pow= 1.6 at 20°C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.6
- at the temperature of:
- 20 °C
Additional information
The partition coefficient was estimated based on the ratio of the solubilities in n-octanol and in water.
The individual solubilities were carried out by the flask method according to OECD Guideline 105 and the concentration was quantified by UV/Vis absorption.
Since the water solubility of <2µg/L was estimated below the limit of detection therefore it can be suggested that the water solubility of 1 µg/L is possibly the lowest measurable concentration and is used as worst-case for the estimation of the log Pow value.
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