Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: (Q)SAR
Title:
Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 (EPIWEB 4.11)
Author:
United States Environmental Protection Agency, Washington, DC, USA.
Year:
2012
Bibliographic source:
KOWWIN (v1.68) Program

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on (Q)SAR
Principles of method if other than guideline:
Meylan, W.M. and P.H. Howard.  1995.  Atom/fragment contribution method for estimating octanol-water partition coefficients.  J. Pharm. Sci. 84: 83-92.
Type of method:
other: (Q)SAR
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
4-methylpiperidine
EC Number:
210-954-1
EC Name:
4-methylpiperidine
Cas Number:
626-58-4
Molecular formula:
C6H13N
IUPAC Name:
4-methylpiperidine
Test material form:
liquid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
1.61

Any other information on results incl. tables

KOWWIN Program (v1.68) Results:

See attachment in Attached background material for more details.

Applicant's summary and conclusion

Conclusions:
Log Kow (version 1.68 estimate): 1.61