Registration Dossier
Registration Dossier
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EC number: 209-711-2 | CAS number: 591-27-5
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:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Justification for type of information:
- Experimental test result performed using standard test guidelines
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- The dissociation constant (pKa) of 3-aminophenol is determined.
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material: 3-aminophenol
- IUPAC name: 1-Hydroxy-3-amino-benzene
- Molecular weight: 109.127 g/mole
- Molecular formula: C6H7NO
- Smiles: c1c(cccc1O)N
- InChI: 1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
- Substance type: Organic
- Physical state: Solid Crystalline (white) - Dissociating properties:
- yes
- No.:
- #1
- pKa:
- >= 4.37 - <= 5.25
- Remarks on result:
- other: +HBAH/BAH
- No.:
- #2
- pKa:
- >= 9.815 - <= 10.2
- Remarks on result:
- other: BAH/BA-
- Conclusions:
- The test item 3-aminophenol shows dissociation properties. The pKa values were found to be in the range of 4.37-5.25 for the forms +HBAH/BAH and in the range of 9.815-10.2 for the forms BAH/BA-.
- Executive summary:
The test item 3-aminophenol shows dissociation properties. The pKa values were found to be in the range of 4.37-5.25 for the forms +HBAH/BAH and in the range of 9.815-10.2 for the forms BAH/BA-.
Reference
Description of key information
The test item 3-aminophenol shows dissociation properties. The pKa values were found to be in the range of 4.37-5.25 for the forms +HBAH/BAH and in the range of 9.815-10.2 for the forms BAH/BA-.
Key value for chemical safety assessment
Additional information
The test item 3-aminophenol shows dissociation properties. The pKa values were found to be in the range of 4.37-5.25 for the forms +HBAH/BAH and in the range of 9.815-10.2 for the forms BAH/BA-.
Other supporting data from authoritative databases also stated, the 3-Aminophenol has both amine and hydroxy functional groups; the pKa values for these groups are 4.37 and 9.815, respectively.
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