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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: accepted calculation method

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
KOWWIN Program
Author:
EPISuite
Year:
2012
Bibliographic source:
BASF SE, Department of Product Safety, unpublished calculation, EPISuite V4.00
Report date:
2012

Materials and methods

Test guideline
Guideline:
other: calculated
GLP compliance:
no
Type of method:
other: caculated according to KOWWIN Program (v1.68)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
3-chloro-o-toluidine
EC Number:
201-756-6
EC Name:
3-chloro-o-toluidine
Cas Number:
87-60-5
Molecular formula:
C7H8ClN
IUPAC Name:
3-chloro-2-methylaniline

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.27
Temp.:
25 °C

Any other information on results incl. tables

The estimates refer to the uncharged molecule.

Applicant's summary and conclusion