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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 404-360-3 | CAS number: 119313-12-1 CG 25-369; IRGACURE 369; TK 11-319
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 1996
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- estimated according to D.D.Perrin et al, pKa Prediction for Organic Acids and Bases, Chapman & Hall 1981
- GLP compliance:
- yes
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 6.3
- Temp.:
- 25 °C
- Remarks on result:
- other: basic, aliphatic tertiary amine
- No.:
- #2
- pKa:
- 1.6
- Temp.:
- 25 °C
- Remarks on result:
- other: basic, aromatic tertiary amine in Morpholino ring
- Conclusions:
- The dissociation constant of test substance was calculated to be pKa1= 6.3 and pKa2= 1.6 at 25°C
- Executive summary:
In this study conducted to generally accepted scientific standards conducted with GLP certification, the dissociation constants of the test material (EC 404-363-3) were calculated to be pKa1= 6.3 and pKa2= 1.6 at 25°C
Reference
The test compound is extremely little soluble in water. Thus an experimental determination of the dissociation constants is not possible.
Description of key information
Calculation conducted to generally recognised scientific standards
Key value for chemical safety assessment
- pKa at 20°C:
- 6.3
Additional information
The test compound is extremely little soluble in water. Thus an experimental determination of the dissociation constants is not possible.
The estimation was according to D.D.Perrin et al, pKa Prediction for Organic Acids and Bases, Chapman & Hall 1981. The test compound has the following dissociable functional group and the pKa values was calculated to be:
- one aliphatic tertiary amine: pKa1= 6.3
- one aromatic tertiary amine: pKa2= 1.6
pKa1= 6.3 at 25°C (of aliphatic tertiary amine)
pKa2= 1.6 at 25°C (of aromatic tertiary amine)
(calculated)
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.
