Registration Dossier
Registration Dossier
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EC number: 943-172-0 | 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:
- February 12, 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- other: Computational approach
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.985
- Temp.:
- 20 °C
- Remarks on result:
- other: No pH details provided.
- Key result
- Type:
- Pow
- Partition coefficient:
- 9.662
- Temp.:
- 20 °C
- Remarks on result:
- other: No pH details provided.
- Conclusions:
- The calculated partition coefficient (log Pow) of the test substance, based on solubility in n-octanol and water was 0.985 at 20°C.
- Executive summary:
The calculation of the partition coefficient of the test substance was based on the determinations of its solubility in n-octanol and water. In case of substances for which it is technically not feasible to measure an octanol-water partition coefficient by OECD 107, it is possible to obtain a ratio of the saturated water solubility (OECD 105) and saturated octanol solubility. N-octanol solubility of test substance was determined using similar experimental conditions as described for determination of water solubility according to test procedure VTA34N00003.01, which complies with EU test method L383 A/54 -62 (EEC A.6). The calculated partition coefficient (log Pow) of the test substance, based on solubility in n-octanol and water was 0.985 at 20°C (Schwarzkopf, 2015).
Reference
-Solubility of test substance in n-octanol: 96.61±0.420 g/L
-Water solubility (20°C): 9.999 g/L
-The log Pow was calculated according the equation: Pow = (solubility of test substance in n-octanol (in g/L))/ (solubility of test substance in water (in g/L))
= 96.61 /9.999
= 9.662
-Log Pow = 0.985
Description of key information
The partition coefficient was calculated from the ratio of the solubility of the test substance in n-octanol and water respectively, according to a calculation method specified in OECD Guideline 107 and EU Method A.8 (Schwarzkopf, 2015).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.985
- at the temperature of:
- 20 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
