Registration Dossier
Registration Dossier
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EC number: 211-448-3 | CAS number: 645-62-5
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Reference
- Reference Type:
- other: calculation method
- Title:
- Unnamed
- Year:
- 2 007
- Report date:
- 2007
Materials and methods
Test guideline
- Guideline:
- other: accepted calculation method
- Principles of method if other than guideline:
- calculated with SPARC program (v3.1, release Jan 2007)
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-ethylhex-2-enal
- EC Number:
- 211-448-3
- EC Name:
- 2-ethylhex-2-enal
- Cas Number:
- 645-62-5
- Molecular formula:
- C8H14O
- IUPAC Name:
- 2-ethylhex-2-enal
Constituent 1
Results and discussion
- Dissociating properties:
- no
Any other information on results incl. tables
Only one molecular species of the substance (shown as SMILES codes) occurs in the range of pH 0 to pH 14:
1 O=CC(=CCCC)CC (uncharged molecule)
Applicant's summary and conclusion
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.
