Registration Dossier
Registration Dossier
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EC number: 236-759-1 | CAS number: 13476-99-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018-04-24
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- please refer to attached QPRF/QMRF report
- Guideline:
- other: ECHA Guidance R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EPIWIN v4.1
- Model(s) used: KOWWIN v1.68
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- CC(=O)CC(C)=O
- Type:
- log Pow
- Partition coefficient:
- 0.05
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not specified in model
- Conclusions:
- The logPow for 2,4-pentanedione predicted by KOWWIN v1.68 is 0.05. The prediction is in the applicability domain of the model.
- Executive summary:
The logPow of 2,4 -pentanedione was predicted by KOWWIN v1.68 implemented in EPIWIN v 4.1. It was predicted to be 0.05. This prediction falls within the applicability domain of this model.
Reference
Description of key information
The logPow of 2,4 -pentanedione was predicted by KOWWIN v1.68 implemented in EPIWIN v 4.1. It was predicted to be 0.05. This prediction falls within the applicability domain of this model.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.05
Additional information
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