Registration Dossier
Registration Dossier
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EC number: 222-774-0 | CAS number: 3608-67-1
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Data from peer reviewed article, guideline not specified.
- GLP compliance:
- not specified
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- No further information provided.
- Key result
- Melting / freezing pt.:
- >= 162.5 - <= 163 °C
- Endpoint:
- melting point/freezing point
- 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.
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI MPBPWIN v1.3
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES (used for QSAR prediction): C(=O)(C(O)(c1ccccc1)c1ccccc1)OC1CCN(C)CC1
- Key result
- Melting / freezing pt.:
- 166.42 °C
- Conclusions:
- The predicted value for the endpoint "melting point" is 166.42 °C.
- Executive summary:
Normally a test for the determination of the endpoint „melting point“ (e.g. acc. to regulation no. 440/2008/EC method A.1) 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).
Referenceopen allclose all
Description of key information
1 -methyl-4 -piperidyl diphenylglycolate has a predicted melting point of 166.42 °C.
1 -methyl-4 -piperidyl diphenylglycolate has an observed melting point of 162.5 - 163.0 °C.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 163 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
