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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2018-04-04
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:
Due to the low water solubility of the test item (< 0.05 mg/L), the experimental study for log Pow determination is technically not feasible and therefore QSAR estimation is used to cover the endpoint. Please refer to QPRF/QMRF documentation for detailed information on model suitability.
The estimated log Pow exceeds the regulatory cutoff value of 3. Therefore, this data does not underestimate any risk.
Qualifier:
according to
Guideline:
other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
Version / remarks:
May 2008
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SMILES: Oc1ccc(cc1)C(=O)Oc1ccccc1
Key result
Type:
log Pow
Partition coefficient:
3.21
Temp.:
20 °C
Remarks on result:
other: pH not available in QSAR prediction.
Details on results:
see QPRF/QMRF
Conclusions:
The estimated log Pow = 3.21 for phenyl 4-hydroxybenzoate suggests hydrophobic properties associated with a moderate potential for adsorption and bioaccumulation.
Executive summary:

The estimated log Pow = 3.21 for phenyl 4-hydroxybenzoate suggests hydrophobic properties associated with a moderate potential for adsorption and bioaccumulation. The substance is considered to be in the applicability domain of the model and the final result is considered adequate for a regulatory conclusion.

Description of key information

The estimated log Pow = 3.21 for phenyl 4-hydroxybenzoate suggests hydrophobic properties associated with a moderate potential for adsorption and bioaccumulation.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.21
at the temperature of:
20 °C

Additional information

The substance is considered to be in the applicability domain of the model and the final result is considered adequate for a regulatory conclusion.