Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
short-term toxicity to fish
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:
A scientific and endpoint specific (Q)SAR model (with relevance and reliability; substance fall within the domain etc.) is the EPI ECOSAR model, summarized in and published by Danish (Q)SAR-Database and OECD QSAR Toolbox v4.1; accepted by ECHA. Data of this model should therefore been accepted for classification and labelling, for risk assessments and for PBT assessment.

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: EPI ECOSAR v1.11.
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

Test organisms

Test organisms (species):
not specified

Results and discussion

Effect concentrations
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
16.83 mg/L

Applicant's summary and conclusion

Conclusions:
1-methyl-4-piperidyl diphenylglycolate is not classified as acute toxic to fish acc. to regulation 1272/2008/EC (CLP).
Executive summary:

Normally a screening test for the determination of the endpoint „acute toxicity to fish“ (e.g. acc. to regulation no. 440/2008/EC method C.1; resp. to OECD203) 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 EPI ECOSAR model use Aliphatic Amines, Esters and Benzyl Alcohols, in particular Esters for predictions of acute toxicity for fish, as most toxic classes.

The Danish (Q)SAR-Database predict a 48 h EC50 for Daphnia = 2.78 mg/l; a 96 h LC50 for Fish = 16.83 mg/l and a 96 h EC50 for Green Algae = 1.95 mg/l.
The data of all 3 species should be used for classification acc. to regulation 1272/2008/EC (CLP) and for PBT assessment.