Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: scientifically accepted software

Data source

Reference
Reference Type:
other: calculation
Title:
1-Propanaminium, 3-hysroxy-N-(2-hydroxyethyl)-N,N-dimethyl, chloride
Author:
BASF SE
Year:
2011
Bibliographic source:
BASF SE Department of Product Safety, unpublished calculation, EPISuite V4.00, 05.01.2011

Materials and methods

Test guideline
Guideline:
other: caculated
GLP compliance:
no
Type of method:
other: calculated with KOWWINv1.67
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(2-hydroxyethyl)(3-hydroxypropyl)dimethylammonium chloride
EC Number:
278-860-3
EC Name:
(2-hydroxyethyl)(3-hydroxypropyl)dimethylammonium chloride
Cas Number:
78182-00-0
Molecular formula:
C7H18NO2.Cl
IUPAC Name:
(2-hydroxyethyl)(3-hydroxypropyl)dimethylazanium chloride

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-5.232
Temp.:
25 °C

Any other information on results incl. tables

The data refer to the uncharged molecule.

Applicant's summary and conclusion