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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR prediction.
Principles of method if other than guideline:
Calculation with use of SPARC pKa online calculator v 4.6, chemical reactivity models for estimation of ionisation pKa in water.
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
3.96
Temp.:
25 °C
Remarks on result:
other: CAS 142-48-3
Remarks:
Stearoyl sarcosine
No.:
#2
pKa:
3.96
Temp.:
25 °C
Remarks on result:
other: CAS 2421-33-2
Remarks:
Palmitoyl sarcosine

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

pKa for stearoyl sarcosine (constituent) is 3.96 (QSAR, SPARC v4.6).

pKa for palmitoyl sarcosine (constituent) is 3.96 (QSAR, SPARC v4.6).

Key value for chemical safety assessment

pKa at 20°C:
3.96

Additional information