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Registration Dossier
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EC number: 227-231-1 | CAS number: 5726-19-2
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Principles of method if other than guideline:
- Calculated by Advanced Chemistry Development (ACD/Labs) software 2.0.
- GLP compliance:
- no
- Dissociating properties:
- no
- Conclusions:
- No pKa could be estimated for 2-methylcyclohexyl acetate according to ACD/I-Lab 2.0.
- Executive summary:
No pKa could be estimated for 2-methylcyclohexyl acetate according to ACD/I-Lab 2.0.
Reference
The predicted values of pKa (v5.0.0.184) were:
Strongest pKa (Acid): No Acid pKa
Strongest pKa (Base): No Base pKa
According to the Algorithm Version: v12.1.0.50374:
The structure does not contain ionization centers calculated by current version of ACD/pKa.
Description of key information
Key study: No pKa could be estimated for 2-methylcyclohexyl acetate according to ACD/I-Lab 2.0.
Key value for chemical safety assessment
Additional information
Key study: No pKa could be estimated for 2-methylcyclohexyl acetate according to ACD/I-Lab 2.0.
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