Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited

Data source

Reference
Reference Type:
other: QSAR model
Title:
TEST v.4.2.1
Year:
2016
Bibliographic source:
Boiling Point - User’s Guide for T.E.S.T. (version 4.2)

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Constituent 1
Chemical structure
Reference substance name:
Diacerein
EC Number:
237-310-2
EC Name:
Diacerein
Cas Number:
13739-02-1
Molecular formula:
C19H12O8
IUPAC Name:
4,5-diacetoxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Specific details on test material used for the study:
Since (Q)SAR models are not applicable to salts, the predicion was carried out for Diacerin acid and extrapolated to Diacerin potassium.

Results and discussion

Boiling point
Key result
Boiling pt.:
ca. 458 °C
Remarks on result:
other: Result by Consensus method.

Any other information on results incl. tables

The result appears non-reliable as the predicted compound is outside the applicability domain of the model.

Applicant's summary and conclusion

Conclusions:
The substance has a boiling point of ca. 458°C.