Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
November 2018
Reliability:
1 (reliable without restriction)
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

Data source

Reference
Title:
EPI Suite - Estimation Program Interface (KOWWIN)
Year:
1995
Bibliographic source:
Model developed by U.S. Environmental Protection Agency/ Syracuse Research Corporation

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent
Specific details on test material used for the study:
SMILES: CCOC(=O)CC(=O)OCC(=O)OCC

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
0.44
Remarks on result:
other: QSAR predicted value

Any other information on results incl. tables

The estimated value for 2-ethoxy-2-oxoethyl ethyl malonate applying KOWWIN models for Log Pow was 0.44. Furthermore, the compound falls inside the applicability domain of the model.

Applicant's summary and conclusion

Conclusions:
The estimated value for 2-ethoxy-2-oxoethyl ethyl malonate applying KOWWIN models for Log Pow was 0.44. The prediction, falls inside the applicability domain of the model and is considered reliable.
Executive summary:

Regulatory purpose: This study was designed to generate estimated in silico (nontesting) data for partition coefficient for 2-ethoxy-2-oxoethyl ethyl malonate to be used in the regulatory framework of REACH. Log Pow = 0.44.