Registration Dossier
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EC number: 299-890-3 | CAS number: 93918-10-6
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:
- 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- As a preliminary result the calculated partition coefficient log Kow of the test item applying the EPISUITE software tool of the Environmental Protection Agency is shown. The currently ongoing studies according to established OECD guideline test methods for determination of the partition coefficient resulted in implausible values due to technical reason. As soon as the study results are available these will be included in an update of the dossier.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR - calculation method of partition coefficient
- Version / remarks:
- KOWWIN v1.68 estimate
- Deviations:
- not applicable
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Name: Potassium 3,5,5-trimethylhexanoate
CAS No.: 93918-10-6
Batch No.: PURS151015
Purity: 99.4%
Physical State: solid
Colour: white
Molecular Weight: 196.33 g/mol
Storage Conditions: room temperature
Re-certification Date: 14 October 2016 - Key result
- Type:
- log Pow
- Partition coefficient:
- -0.47
- Temp.:
- 25 °C
- Remarks on result:
- other: no value given for pH; the substance is within the applicability domain of the model
- Conclusions:
- The calculated partition coefficient of the test item has been determined to be log10 Pow = -0.47.
- Executive summary:
In the Klimisch 2 calculation study the logPow of the test item was determined using QSAR method. The result from the preliminary tests indicated that the QSAR method was the most suitable for determination of the partition coefficient. The partition coefficient of the test item has been determined to be log10 Pow = -0.47.
Reference
Description of key information
The calculated partition coefficient of the test item has been determined to be log10 Pow = -0.47.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.47
- at the temperature of:
- 25 °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.
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