Registration Dossier

Administrative data

Endpoint:
boiling point
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:
T.E.S.T (Toxicity Estimation Software Tool) v4.2.1
Year:
2016
Bibliographic source:
Model developed by U.S. EPA/National Risk Management Research Laboratory/Sustainable Technology Division

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 103 (Boiling Point/Boiling Range)
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

Boiling point
Key result
Boiling pt.:
247.4 °C
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 TEST models for boiling point was 247.40ºC. 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 TEST models for boiling point was 247.40ºC. Furthermore, the compound falls inside the applicability domain of the model.
Executive summary:

Regulatory purpose: This study was designed to generate estimated in silico (nontesting) data for boiling point for 2-ethoxy-2-oxoethyl ethyl malonate to be used in the regulatory framework of REACH. Boiling point = 247.40ºC