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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 220-816-2 | CAS number: 2906-12-9
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: The calculation was using the scientific acceptable software program.
Data source
Reference
- Reference Type:
- other: unpublished calculation
- Title:
- SciFinder – Predicted Property Values
- Bibliographic source:
- SciFinder - Copyright © 2014 American Chemical Society. All Rights Reserved., online query 12.12.2014
Materials and methods
- Principles of method if other than guideline:
- The calculation was using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2014 ACD/Labs) cited in SciFinder Database
- GLP compliance:
- no
Test material
- Reference substance name:
- 3-isopropoxypropylamine
- EC Number:
- 220-816-2
- EC Name:
- 3-isopropoxypropylamine
- Cas Number:
- 2906-12-9
- Molecular formula:
- C6H15NO
- IUPAC Name:
- 3-(propan-2-yloxy)propan-1-amine
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- No.:
- #1
- pKa:
- 9.82
- Temp.:
- 25 °C
- Remarks on result:
- other: estimated
Applicant's summary and conclusion
- Conclusions:
- The dissociation constant of test substance was estimated to be pKa= 9.8 at 25°C
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.
