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Diss Factsheets

Administrative data

partition coefficient
Type of information:
Adequacy of study:
other information
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Reference Type:
other: QSAR-tool
Estimation Program Interface EPI Suite (TM) v4.11: KOWWIN v. 1.68 for estimation of log Kow
United States Environmental Protection Agency, Washington, DC, USA.
Bibliographic source:

Materials and methods

Principles of method if other than guideline:
The EPI Suite™ method that estimates Kow is KOWWIN and it uses a "fragment constant" method to predict Kow. In the "fragment constant" method, a molecule is divided into fragments (atoms or larger functional groups) and the assigned coefficient values for each fragment are added to give the Kow estimate.
Type of method:
calculation method (fragments)
Partition coefficient type:

Results and discussion

Partition coefficient
Key result
log Pow
Partition coefficient:
Remarks on result:
other: calculated

Any other information on results incl. tables

KOWWIN Program (v1.68) Results:



Log Kow(version 1.68 estimate): -2.06



CHEM  : 1-[bis(2-hydroxyethyl)amino]propan-2-ol

MOL FOR: C7 H17 N1 O3

MOL WT : 163.22




Frag | 1 | -CH3   [aliphatic carbon]               | 0.5473 | 0.5473

Frag | 5 | -CH2-  [aliphatic carbon]               | 0.4911 | 2.4555

Frag | 1 | -CH    [aliphatic carbon]               | 0.3614 | 0.3614

Frag | 3 | -OH    [hydroxy, aliphatic attach]      |-1.4086 | -4.2258

Frag | 1 | -N<    [aliphatic attach]               |-1.8323 | -1.8323

Factor| 1 | Multi-alcohol correction                 | 0.4064 | 0.4064

Const |    | Equation Constant                        |        | 0.2290


Log Kow  = -2.0585

Applicant's summary and conclusion