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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Referenceopen allclose all

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
supporting 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:
1. SOFTWARE
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.

2. MODEL (incl. version number)
KOWWIN v1.68

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"

5. APPLICABILITY DOMAIN
See attached information and information as provided in "Overall remarks, attachments" section.

6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section.
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.6
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 calculation
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.4
Remarks on result:
other: QSAR result, no information on temperature and pH
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Principles of method if other than guideline:
handbook data, no information is given on test method
GLP compliance:
no
Type of method:
other: not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.1
Remarks on result:
other: calculated, no info on pH and temperature
Type:
log Pow
Partition coefficient:
0.38
Remarks on result:
other: calculated, no info on pH and temperature

handbook data, no information is given on temperature and pH

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April, 06-08 2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: Method A.8 (Council Regulation 440/2008EC)
Deviations:
no
GLP compliance:
no
Other quality assurance:
other: ISO 9001:2008
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
0.1
Temp.:
40 °C
pH:
7.1

The partition coefficient of the test item was determined to be: logPow= 0.10 at 40 °C and pH= 7.1

Description of key information

log Pow  = 0.1 at 40 °C, pH = 7.1 (HPLC, OECD 117)

Key value for chemical safety assessment

Log Kow (Log Pow):
0.1
at the temperature of:
40 °C

Additional information

QSAR calculation with KOWWIN (log Pow = 0.4) and the values reported within literature (log Pow = 0.1 and 0.38) are supporting.