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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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:
Results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification. Full details are located in the QPRF attached in the field: 'attached background material'.
Cross-reference
Reason / purpose for cross-reference:
data waiving: supporting information
Reference
Endpoint:
partition coefficient
Data waiving:
study technically not feasible
Justification for data waiving:
the study does not need to be conducted because the substance decomposes
Justification for type of information:
The test substance fully decomposes (hydrolyses) rapidly on contact with water. This was assessed by a test lab who also provided a calculated value of -0.33 using the computer estimation software, KOWWIN v 1.68 (September 2010) EPA.

Data source

Reference
Reference Type:
other: QSAR Data
Title:
KOWWIN v 1.68
Author:
U.S/ Environmental Proection Agency
Year:
2010
Bibliographic source:
KOWWIN v 1.68 (September 2010) © 2000 U.S. Environmental Protection Agency

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
Results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification. Full details are located in the QPRF attached in the field: 'attached background material'.
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Aluminium triethanolate
EC Number:
209-105-8
EC Name:
Aluminium triethanolate
Cas Number:
555-75-9
Molecular formula:
C2H6O.1/3Al
IUPAC Name:
aluminum triethanolate
Test material form:
solid: particulate/powder

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.33
Remarks on result:
other: QSAR calculation

Applicant's summary and conclusion

Conclusions:
The determination of the partition coefficient was considered to be not feasible due to the nature of the test item; it decomposes on contact with water. A calculated value of -0.33 was obtained using the computer estimation software, KOWWIN v 1.68 (September 2010) © 2000 U.S. Environmental Protection Agency.