Registration Dossier
Registration Dossier
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EC number: 218-212-9 | CAS number: 2082-59-9
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2002
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Guideline:
- other: Estimation Program "ACD/pKa DB" (Advanced Chemistry Development Inc., Toronto, Canada)' and "CAMEO" (Computer Assisted Mechanistic Evaluation of Organic Reactions)
- GLP compliance:
- no
- Dissociating properties:
- no
- Conclusions:
- The test item does not contain any functional groups which can be protonated or deprotonated significantly in aqueous solution. Therefore, the substance is to be considered a neutral molecule in the pH range 2 ¿ 10, which is of relevance for aqueous biological systems.
- Executive summary:
The test item does not contain any functional groups which can be protonated or deprotonated significantly in aqueous solution.
With the computer program ACD/pKa DB ( Advanced Chemistry Development Inc., Toronto, Canada) a pKa value could not be calculated.
Therefore, the substance is to be considered a neutral molecule in the pH range 2 ¿ 10, which is of relevance for aqueous biological systems.
Reference
The test item does not contain any functional groups which can be protonated or deprotonated significantly in aqueous solution.
With the computer program ACD/pKa DB ( Advanced Chemistry Development Inc., Toronto, Canada) a pKa value could not be calculated.
Therefore, the substance is to be considered a neutral molecule in the pH range 2 ¿ 10, which is of relevance for aqueous biological systems.
Description of key information
Pentanoic anhydride does not contain any functional groups which can be protonated or deprotonated significantly in aqueous solution. Therefore, the substance is to be considered a neutral molecule in the pH range 2-10, which is of relevance for aqueous biological systems.
Key value for chemical safety assessment
Additional information
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