Registration Dossier
Registration Dossier
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EC number: 271-843-1 | CAS number: 68609-93-8
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:
- June 05, 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: "Computational Approach in OECD Guideline 107"
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Principles of method if other than guideline:
- The method enables partition coefficients to be calculated based on the ratio of the solubility of the material in octanol and water.
- GLP compliance:
- not specified
- Type of method:
- other: based on solubility of test substance in n-Octanol and water
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- Pow
- Partition coefficient:
- < 0
- Remarks on result:
- other: Not applicable. Calculation method used.
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -4.98
- Remarks on result:
- other: Not applicable. Calculation method used.
- Details on results:
- The log Pow was calculated according the equation:
solubility of test substance in n-octanol
-----------------------------
solubility of test substance in water
where:
Water solubility: >770 g/L
n-Octanol solubility: < 0.008 g/L
0.008 g/L
= < ---------
770 g/L
Pow = <1.04 X 10-5
Log Pow = < - 4.98 - Conclusions:
- Under the study conditions, the calculated log Pow of the test substance was <-4.98 (Pow <1.04E-5).
- Executive summary:
A study was conducted to determine the partition coefficient of the test substance according to computational approach in OECD Guideline 107 and EU Method A.8. The partition coefficient was calculated based on the solubility of the test substance in n-Octanol and water. Under the study conditions, the calculated log Pow of the test substance was <-4.98 (Pow <1.04E-5) (Frischmann, 2013).
Reference
Description of key information
The partition coefficient was determined according to OECD Guideline 107 and EU Method A.8 (Frischmann, 2013).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4.98
- at the temperature of:
- 20 °C
Additional information
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