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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
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:
The partition coefficient of an organic substance is a key endpoint as it will allow environmental partioning and accumulation potential to be estimated. Only in exceptional cases when there is a high degree of certainty, or low level of risk, should testing be waived.
Potassium Benzoate is one of the cases where there is sufficient circumstantial evidence to show that the substance will have a partition coefficient that is not significant for exposure assessments. This must also be considered in the light of rapid biodegradation of the benzoate ion (ie no accumulation) and also the fact that the salt will readily dissociate. It must also be noted that as with any organo-metal salt that readily dissociates, the inorganic metal ion will not biodegrade and any risk of accumulation of the potassium must be considered with respect to the role in metabolic processes.
Qualifier:
no guideline followed
Version / remarks:
EPISuite
Principles of method if other than guideline:
Assessment with EPISuite
GLP compliance:
no
Type of method:
calculation method (fragments)
Remarks:
EPISuite fragmented
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Modelled
Key result
Type:
log Pow
Partition coefficient:
< -2.27
Temp.:
20 °C
pH:
ca. 7
Conclusions:
The substance has been put through the EPISuite model and the estimated Log Kow is -2.27.
Executive summary:

The partition coefficient of an organic substance is a key endpoint as it will allow environmental partioning and accumulation potential to be estimated. Only in exceptional cases when there is a high degree of certainty, or low level of risk, should testing be waived.

 

Potassium Benzoate is one of the cases where there is sufficient circumstantial evidence to show that the substance will have a partition coefficient that is not significant for exposure assessments. This must also be considered in the light of rapid biodegradation of the benzoate ion (ie no accumulation) and also the fact that the salt will readily dissociate.

 

Despite the circumstantial evidence that there is no risk of accumulation in sediments, the substance has been put through the EPISuite model and the estimated Log Kow is -2.27. The high water solublity and the rapid biodegradation of the organic ions further reduce the need to attempt a full chemical study.

Description of key information

The substance has been put through the EPISuite model and the estimated Log Kow is -2.3

The water solublity is ca 500 g/l

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.3
at the temperature of:
20 °C

Additional information