Registration Dossier
Registration Dossier
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EC number: 200-657-5 | CAS number: 67-51-6
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The pka of the test material has been predicted using Pallas.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- publication
- Title:
- Pallas
- Author:
- CompuDrug Chemistry Ltd.
- Year:
- 1 994
- Bibliographic source:
- Version 3.6.2.1, Copyright (c) 1994, 2006
- Report date:
- 2012
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSAR's R.6 May/July 2008
- Principles of method if other than guideline:
- The dissociation constants (pKa’s) of the substance 3,5-Dimethylpyrazole were estimated using the pKalc function of the PALLAS estimation software program (CompuDrug, version 3.6.2.1).
- GLP compliance:
- no
Test material
- Reference substance name:
- 3,5-dimethylpyrazole
- EC Number:
- 200-657-5
- EC Name:
- 3,5-dimethylpyrazole
- Cas Number:
- 67-51-6
- Molecular formula:
- C5H8N2
- IUPAC Name:
- 3,5-dimethyl-1H-pyrazole
- Test material form:
- not specified
- Details on test material:
- - Name of test material: 3,5-Dimethylpyrazole
Constituent 1
Results and discussion
- Dissociating properties:
- not determined
Dissociation constant
- pKa:
- 4.17
- Remarks on result:
- other: no value for temperature available
Applicant's summary and conclusion
- Conclusions:
- The dissociation constant of the test material was predicted to be pKa 4.17, according to PALLAS version 3.6.2.1.
- Executive summary:
The dissociation constant of the test material was predicted to be pKa 4.17, according to PALLAS version 3.6.2.1.
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.
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