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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Principles of method if other than guideline:
Calculation based on KOWWIN v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Type of method:
other: QSAR
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Lauric acid
EC Number:
205-582-1
EC Name:
Lauric acid
Cas Number:
143-07-7
Molecular formula:
C12H24O2
IUPAC Name:
dodecanoic acid
Details on test material:
- Name of test material (as cited in study report): Dodecanoic acid
- Molecular formula: C12 H24 O2
- Molecular weight: 200.32 g/mol
- Smiles notation: O=C(O)CCCCCCCCCCC
- Analytical purity: not applicable

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
5

Any other information on results incl. tables

QSAR result; pH and temperature are not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Applicant's summary and conclusion