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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
flash point, other
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Scientific and endpoint specific (Q)SAR models (with relevance and reliability etc.) is the ACD-Labs software; v11.02. The data of this model should be therefore been accepted for this endpoint.

Data source

Reference
Reference Type:
review article or handbook
Title:
SciFinder Database
Author:
ACS - American Chemical Society
Year:
2018
Bibliographic source:
https://sso.cas.org/as/89QVR/resume/as/authorization.ping
Report date:
2018

Materials and methods

Principles of method if other than guideline:
- Software tool(s) used including version: ACD-Labs software; v11.02
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
1-methyl-4-piperidyl diphenylglycolate
EC Number:
222-774-0
EC Name:
1-methyl-4-piperidyl diphenylglycolate
Cas Number:
3608-67-1
Molecular formula:
C20H23NO3
IUPAC Name:
1-methylpiperidin-4-yl 2-hydroxy-2,2-diphenylacetate
Specific details on test material used for the study:
SMILES (used for QSAR prediction): C(=O)(C(O)(c1ccccc1)c1ccccc1)OC1CCN(C)CC1

Results and discussion

Flash point
Key result
Flash point:
205.3 °C
Remarks on result:
other: predicted
Remarks:
Software tool(s) used including version: ACD-Labs software; v11.02

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
The determination of the of the endpoint „Flash-point” of 1-methyl-4-piperidyl diphenylglycolate is not necessary by a practical test, because the predicted value of 205 ° C is save for additional RMM. Furthermore, a determination is technically not feasible, because decomposition above the melting point occurs and a flash-point is only relevant for liquids or low melting solids.
Executive summary:

Normally a test for the determination of the endpoint „Flash-point“ (e.g. acc. to regulation no. 440/2008/EC method A.9) would be required. But this test procedure is only applicable to liquid substances whose vapours can be ignited by ignition sources and in general not for solid substances.

According to EC 1907/2006; Annex VII; 7.9; column 2, the study does not need to be conducted for solids whose estimated flash-point is above 200 °C, or the flash-point can be accurately predicted by interpolation from existing characterized materials.

Additionally, an adaption of the standard testing regime is possible (e. g. by “data waiving”), if the test does not appear scientifically necessary and other information are available.

One possibility in this case is to provide data by a valid (Q)SAR model (Annex XI, 1.3 to REACH).