Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

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:
As the target substance is hydrolytically unstable with hydrolysis half-life less than 1 hr at 30°C, testing is not feasible. According to hydrolysis test results, the hydrolysis products have been identified to be 2-propanol, isostearic acid and titanium dioxide. The physical, toxicological and ecotoxicological properties of the organic parts have been well-investigated. Read-across approach from hydrolysis products are used for assess the target substance.
QSAR modelling is used to calculate partition coefficients of the hydrolysis products.
Guideline:
other: QSAR model
GLP compliance:
no
Type of method:
other: QSAR model
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
ca. 7.87
Temp.:
20 °C
pH:
ca. 7
Details on results:
Partition coeffiecnts (log value) of isostearic acid (isooctadecanoic acid) was 7.87.
Conclusions:
Partition coeffiecnts (log value) of isostearic acid (isooctadecanoic acid) was 7.87.
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
no guideline followed
Principles of method if other than guideline:
Data from published handbook.
GLP compliance:
not specified
Type of method:
other: not specified.
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
ca. 0.05
Temp.:
25 °C
pH:
ca. 7
Conclusions:
Partition coeffiecnts (log value) of 2-propanol was 0.05 at 25°C

Description of key information

The partition coefficient of the target substance is 7.87 at 20 °C using QSAR calculation method. As the target substance hydrolyses rapidly to form 2 -propanol and isostearic acid, the physical property of the hydrolysis products are used for read-across. The partition coefficient of 2 -propanol (log value) is 0.05 according to literature. The higher value (7.87) is chosen for CSA.

Key value for chemical safety assessment

Log Kow (Log Pow):
7.87
at the temperature of:
20 °C

Additional information