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EC number: 284-219-9 | CAS number: 84812-94-2
Dissociation constant
Administrative data
Link to relevant study record(s)
- 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
- 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
Reference
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
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