Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 617-347-4 | CAS number: 82543-16-6
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- other information
- Study period:
- 2002
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Estimation based on chemical structure.
- GLP compliance:
- no
Test material
- Reference substance name:
- 3 beta,5-Dihydroxy-6 beta,7 beta;15 beta,16 beta-dimethylene-5 beta-androstan-17-one
- EC Number:
- 617-347-4
- Cas Number:
- 82543-16-6
- Molecular formula:
- C21 H30 O3
- IUPAC Name:
- 3 beta,5-Dihydroxy-6 beta,7 beta;15 beta,16 beta-dimethylene-5 beta-androstan-17-one
- Test material form:
- solid
Constituent 1
Results and discussion
- Dissociating properties:
- no
Applicant's summary and conclusion
- Executive summary:
Except for the aliphatic OH-group ZK 34517 does not contain any functional group which can be protonated or deprotonated significantly in aqueous solution. For the aliphatic hydroxyl groups pKa values of 14.6 and 15.3 were calculated with the computer program ACD/pKa DB. Therefore ZK 34517 is to be considered a neutral molecule in the pH range 2 to 10, which is of relevance for aqueous biological systems.
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.
