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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: QSAR Estimation
Justification for type of information:
Please find attached the complete report (QSAR Prediction Reporting Format (QPRF))

Data source

Reference
Reference Type:
other: QSAR Prediction Reporting Format (QPRF)
Title:
Unnamed
Year:
2014

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Not applicable
GLP compliance:
not specified
Type of method:
other: QSAR estimation method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Methenamine
EC Number:
202-905-8
EC Name:
Methenamine
Cas Number:
100-97-0
Molecular formula:
C6H12N4
IUPAC Name:
1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. -4.15
Remarks on result:
other: No reference to temperature nor ph consider in the estimation qsar method

Applicant's summary and conclusion

Conclusions:
Log Pow of methenamine was calculated as: log Kow = -4.15.