Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The substance was not possible to dry from water without decomposition. The substance is manufactured and supplied in water.
The substance is intentionally surface active and will partition into both oil and water
Comparative solubility in water and solvent has been used to estimate the partition coefficient.
Qualifier:
no guideline followed
Principles of method if other than guideline:
In view of the presence of water and surface active properties, a normal test was not possible.
An estimation of Log Pow has been made by conisdering relative solubilities in water and by QSAR.
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
< 2
Temp.:
20 °C
pH:
> 6 - < 7
Details on results:
Modelling by EPISuite failed to predict the known water solubility (prediction ca 55 mg/l) and the Log Pow was therefore not considered reliable.
The predicted Log Kow was 2.51 for the acid
Water solubility is known to be in exess of 10%, but some dissolution occurs with hazy appearance at over 10 %; water solubility has been set at 10% (100 g/l)
If water solubility is 10 g/l and if fully soluble in octanol (1000 g/l), then the differentiation would be 1000 / 10 = 100 = Log 2.
The figure Log 2 can be used for the CSR with confidence that if it was possible to measure, it would be a lower figure
The substance is readily biodegradable with no risk of accumulation.
Conclusions:
The partition coefficent was not possible to measure directly, so comparative solublity method was used.
A conservative figure of Log 2 was determined, although likely to be less.
Computer modelling failed to provide reliable figures for this substance and the prediced Log 2.5 can be disregarded.

Description of key information

Surfactant and not possible to obtain accurate measurement

From comparable solubilities, estimated Log Kow 2

Key value for chemical safety assessment

Log Kow (Log Pow):
2
at the temperature of:
20 °C

Additional information

Modelling by EPISuite failed to predict the known water solubility (prediction ca 55 mg/l) and the Log Pow was therefore not considered reliable.

The predicted Log Kow was 2.51 for the acid

Water solubility is known to be in exess of 10%, but some dissolution occurs with hazy appearance at over 10 %; water solubility has been set at 10% (100 g/l)

If water solubility is 10 g/l and if fully soluble in octanol (1000 g/l), then the differentiation would be 1000 / 10 = 100 = Log 2.

The figure Log 2 can be used for the CSR with confidence that if it was possible to measure, it would be a lower figure