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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
18 OCT 2022
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
OECD QSAR toolbox v4.5

2. MODEL (incl. version number)
KOWWIN v1.69

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CN(C)CCCN(C)CCO

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the QMRF attached under 'Attached justification'.

5. APPLICABILITY DOMAIN
Please refer to the QPRF attached under 'Attached justification'.
Guideline:
other: REACH guidance on QSARs Chapter R.6
Version / remarks:
May 2008
Principles of method if other than guideline:
Software tool(s) used including version: OECD QSAR toolbox v4.5, EPI Suite v4.11
- Model(s) used: KOWWIN v1.69
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification'
Specific details on test material used for the study:
CN(C)CCCN(C)CCO
Type:
log Pow
Partition coefficient:
0.75
Remarks on result:
other: partition coefficient: - 0.75 Details of temperature and pH not given
Conclusions:
The partition coefficient of test item was calculated to be -0.75 using the US- EPA software KOWWIN v1.69.
Executive summary:

The estimation of partition coefficient was done using the software KOWWIN v.1.69 implemented in EPIWIN program. The log Pow of test item was calculated to be -0.75. The prediction was in the applicability domain of the model.

Description of key information

- partition coefficient Log Kow of the substance 2-[[3-(dimethylamino)propyl]methylamino]ethanol (estimated using KOWWIN v.1.69 implemented in EPIWIN program): -0.75;


- prediction is in the applicability domain of the model.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.75

Additional information