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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
GLP compliance:
no
Specific details on test material used for the study:
The substance is a solid in the pure state but is supplied as a liquid, containing some water and glycol. Because of the difficulty in removing the residual process water and glycol, the substance is not normally isolated and is manufactured and supplied as a UVCB liquid.
Batch no. LAB PREPARATION
Appearance Yellow Liquid
CAS No. 84812-94-2
Molecular formula H25C12NHCH2CH2COOH
Production date 01. Dec. 2017
Expiry date 01. Dec. 2022
Storage Room Temperature (20 ± 5 °C)
Dissociating properties:
yes
No.:
#1
pKa:
5.957
Temp.:
20.6 °C
Conclusions:
The standard deviation of three independent performances of the determination of the dissociation constant was within ± 0.1 log units. The validity criterion was met.
The three evaluated main determinations showed good correlation.
The calculated pKa and pKb values of β-Alanine, N-coco alkyl derivs are stated:
pKa = 5.957
pKb = 8.043

Description of key information

The standard deviation of three independent performances of the determination of the dissociation constant was within ± 0.1 log units. The validity criterion was met.

The three evaluated main determinations showed good correlation.

The calculated pKa and pKb values of β-Alanine, N-coco alkyl derivs are stated:

pKa = 5.957

pKb = 8.043

Key value for chemical safety assessment

pKa at 20°C:
5.97

Additional information