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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
The substance is surface active and has a mixed molecular weight. As such, it is not possible to make a reliable estimate of the partition coefficient. However, the substance is miscible in water and there is high confidence that the partition coefficient is < 1.
Justification for type of information:
Estimation based on miscibility in water and confirmed by basic modelling
Qualifier:
no guideline followed
Principles of method if other than guideline:
The physicochemical properties of the substances were assessed, including consideration of solublity in water and organic solvents.
The EPISuite model was also used.
GLP compliance:
not specified
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Sodium salt used for modelling assessment as amine counter ions invalidated the methods
Type:
log Pow
Partition coefficient:
< 1
pH:
ca. 7
Remarks on result:
other: Modelled based on neutral conditions
Conclusions:
Being miscible in water and poorly soluble in non-polar solvents, the partition coefficient can be reliably assessed to be < 1
The KOA WIN method (EPISuite) suggests Log Kow ca 1.15 for the acid, with the sodium salt known to be more soluble in water providing a negative result.
Due to the potential dissociation properties, changing the pH may impact on these properties, although the acid form and salts are still significantly soluble in water.

Description of key information

Miscible in water and polar solvents.  Normally supplied in water.

Surface active

Key value for chemical safety assessment

Log Kow (Log Pow):
0
at the temperature of:
20 °C

Additional information