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EC number: 252-036-3 | CAS number: 34451-19-9
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2019-09-04 to 2019-10-14
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- no
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Specific details on test material used for the study:
- - Test item: Butyl-(S)-lactate
- Trade name: PURASOLV® BL
- Batch No.: 1806000014
- CAS No.: 34451-19-9
- EC number: 252-036-3
- Molecular weight: 146.2 g/mol
- Content: 99 %
- Physical state: Clear colourless liquid
- Storage conditions: Ambient temperature (10 °C to 30 °C)
- Expiry date: June 14, 2020 - Dissociating properties:
- no
- Conclusions:
- The dissociation constant of the test item was determined according to the European Commission Regulation (EC) No. 2017/735, A.25. and according to the OECD test guideline, OECD 112 with the titration method. No measurable dissociation constant was found using this method.
- Executive summary:
The dissociation constant of the test item was determined according to the European Commission Regulation (EC) No. 2017/735, method A.25. and according to the OECD test guideline 112 with the titration method. No measurable dissociation constant was found as neither a pKa value could be determined with the standard base (NaOH) nor with the standard acid (HCl) in the pH range of 1.6 to 12.0.
Reference
A calculation of the pKa value according to equation 1 was not possible as no half-equivalence point could be determined. It was concluded that the test item did not dissociate in the pH value range (8.1 to 1.6) that is feasible within the titration method of the guideline (OECD 112). As with the standard base sodium hydroxide no pKa value could be determined another test (test II) was performed using the standard acid hydrochloric acid.
A calculation of the pKa value according to equation 1 was not possible as no half-equivalence point could be determined. It was concluded that the test item did not dissociate in the pH value range (7.4 to 12.0) that is feasible within the titration method of the guideline (OECD 112). No further main tests were performed as neither a pKa value could be determined with the standard base (NaOH) nor with the standard acid (HCl) in the pH range of 1.6 to 12.0.
Description of key information
Butyl-S-lactate does not dissociate within the pH range prescribed by OECD test guideline 112.
Key value for chemical safety assessment
Additional information
The dissociation constant of the test item was determined according to the European Commission Regulation (EC) No. 2017/735, method A.25. and according to the OECD test guideline 112 with the titration method. No measurable dissociation constant was found as neither a pKa value could be determined with the standard base (NaOH) nor with the standard acid (HCl) in the pH range of 1.6 to 12.0.
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