Registration Dossier
Registration Dossier
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EC number: 248-256-4 | CAS number: 27138-01-8
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Adequacy of study:
- supporting study
Data source
Materials and methods
- Principles of method if other than guideline:
- SPARC Performance Automated Reasoning in Chemistry (V 4.6)
Test material
- Reference substance name:
- OC(c1cccc(c1)C(O)(C)C)(C)C
- IUPAC Name:
- OC(c1cccc(c1)C(O)(C)C)(C)C
- Details on test material:
- SMILES of the main components of the test substance
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- pKa:
- 18.48
- Temp.:
- 25 °C
Applicant's summary and conclusion
- Conclusions:
- The estimated pKa of the main components is 18.48
- Executive summary:
A SPARC estimation of the pKa of the main components gives a pKa of 18.48. This pKa indicates that no significant dissociation occurs within the pH range 5 -9 thus no further testing is necessary.
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