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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
in vitro gene mutation study in bacteria
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; substance fall within the domain etc.) are CASE ULTRA and SciQSAR, summarized in and published by Danish (Q)SAR-Database and accepted by ECHA. The database contains for gentoxicity data from “Ashby Structural Alerts for DNA-reactivity; required Bacterial Reverse Mutation Test (Ames Test); Direct Acting Mutagenes (without S9); Base-Pair Ames Mutagens; Frameshift Ames Mutagens and Potent Ames Mutagens (Revision >= 10 times controls)”.

Data source

Reference
Reference Type:
publication
Title:
Danish (Q)SAR Database, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, http://qsar.food.dtu.dk
Author:
Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark
Year:
2018
Bibliographic source:
Danish (Q)SAR Database, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, http://qsar.food.dtu.dk
Report date:
2018

Materials and methods

Principles of method if other than guideline:
- Software tool(s) used including version: MultiCASE CASE ULTRA 1.4.6.6, SciQSAR v3.1.00.
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

Method

Species / strainopen allclose all
Species / strain / cell type:
S. typhimurium TA 1535
Species / strain / cell type:
S. typhimurium TA 100

Results and discussion

Test resultsopen allclose all
Key result
Species / strain:
S. typhimurium TA 1535
Genotoxicity:
negative
Key result
Species / strain:
S. typhimurium TA 100
Genotoxicity:
negative
Key result
Species / strain:
S. typhimurium, other: multiple
Remarks:
not specified
Genotoxicity:
negative
Remarks on result:
other: Software tool(s) used including version: MultiCASE CASE ULTRA 1.4.6.6, SciQSAR v3.1.00.

Applicant's summary and conclusion

Conclusions:
1-methyl-4-piperidyl diphenylglycolate is ”not genotoxic” and should not been classified as “Germ cell mutagenic".
Executive summary:

Normally a screening test for the determination of the endpoint „reverse mutation test using bacteria“ (e.g. acc. to regulation no. 440/2008/EC methods of B.13/14; resp. to OECD471) would be required.
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).

The Danish (Q)SAR-Database predict no genotoxic potential in Ames-tests [1-methyl-4-piperidyl diphenylglycolate is not positive in the domain (POS_IN)] and almost negative in the other domains (NEG_IN).

Additional, the compound is predicted as “not positive” in the domains of “other in vitro endpoints” and in domains of other “in vivo endpoints”.
1-methyl-4-piperidyl diphenylglycolate is additional negative in the domains of CHO-Cells, HGPRT-Mutations; Syrian Hamster Embryo Cells and Micronucleus test in Mouse Erythrocytes.