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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 224-388-8 | CAS number: 4337-75-1
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The pKa of Sodium methyl Lauroyl taurate was calculated from the molecular structure with commercially available software.
- GLP compliance:
- no
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 1.42
- Temp.:
- 25 °C
- Remarks on result:
- other: result for C12 chain length; SO3H functional group
- No.:
- #2
- pKa:
- -0.7
- Temp.:
- 25 °C
- Remarks on result:
- other: Amido funtional group
- Conclusions:
- Dissociation constant: pKa1 = 1.42 ± 0.50
- Executive summary:
The dissociation constant of sodium methyl lauroyl taurate was determined from the molecular structure using the ACD software tool.
pKa1 refers to the acid-base equilibrium of the sulfonic acid group. The value of pKa2 lies outside the range relevant for environmental considerations and correspond to protonation/deprotonation of the amido function.
pKa1= 1.42 ± 0.50
pKa2= -0.70 ± 0.70
Reference
pKa1 refers to the acid-base equilibrium of the sulfonic acid group. The value of pKa2 lies outside the range relevant for environmental considerations and corresponds to protonation/deprotonation of the amido function.
pKa1 = 1.42 ± 0.50
pKa2 = -0.70 ± 0.70
Description of key information
The pKa of SMLT has been calculated using commercially available QSAR modelling software.
Result: pKa1 = 1.42 ± 0.50
Key value for chemical safety assessment
- pKa at 20°C:
- 1.42
Additional information
Two pKa values were calculated for SLMT ionisable functional groups.
pKa1 refers to the acid-base equilibrium of the sulfonic acid group. The value of pKa2 lies outside the range relevant for environmental considerations and correspond to protonation/deprotonation of the amido function.
pKa1 = 1.42 ± 0.50
pKa2 = -0.70 ± 0.70
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.
