Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

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:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Value estimated by calculation

Data source

Reference
Reference Type:
secondary source
Title:
Partition coefficient
Author:
KOWWIN v1.68
Bibliographic source:
Episuite v 4.11

Materials and methods

GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(3,4-diethoxyphenyl)acetonitrile
EC Number:
248-479-7
EC Name:
(3,4-diethoxyphenyl)acetonitrile
Cas Number:
27472-21-5
Molecular formula:
C12H15NO2
IUPAC Name:
2-(3,4-diethoxyphenyl)acetonitrile

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.19

Applicant's summary and conclusion

Conclusions:
The estimated log Kow of the substance is 2.19.