Registration Dossier
Registration Dossier
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EC number: 222-774-0 | CAS number: 3608-67-1
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- 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.) are the EPI MPBPVP and EPI MPBPWIN v1.43 model (EPISUITE 1.0), summarized in and published by Danish (Q)SAR-Database and OECD QSAR Toolbox v.4.1; accepted by ECHA and furthermore the ACD-Labs, software V11.02. Data of these models should be therefore been accepted for this endpoint.
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:
- 2 018
- 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 MPBPWIN v1.43
- GLP compliance:
- no
Test material
- 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
Constituent 1
- 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
Vapour pressureopen allclose all
- Key result
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: predicted
- Remarks:
- Software tool(s) used including version: EPI MPBPWIN v1.43
- Key result
- Vapour pressure:
- 0 mm Hg
- Remarks on result:
- other: predicted
- Remarks:
- Software tool(s) used including version: EPI MPBPWIN v1.43
Applicant's summary and conclusion
- Conclusions:
- The predicted value of the endpoint "vapour preassure" of 1-methyl-4-piperidyl diphenylglycolate is 1.04E-7 Pa and is below the limit for respiratory exposure (< 500 Pa).
- Executive summary:
Normally a test for the determination of the endpoint „vapour pressure“ (e.g. acc. to regulation no. 440/2008/EC method A.4) 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).
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