Registration Dossier
Registration Dossier
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EC number: 285-080-7 | CAS number: 85029-55-6
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Read-across from structural analogue 68555-22-6. See justification document in section 13. - Reason / purpose for cross-reference:
- read-across source
- Guideline:
- other: REACH Guidance on QSARs R6, May/July 2008
- Principles of method if other than guideline:
- General model for pKa
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- ca. 10.2
- Temp.:
- 20 °C
- No.:
- #2
- pKa:
- ca. 9
- Temp.:
- 20 °C
- No.:
- #3
- pKa:
- ca. 6.4
- Temp.:
- 20 °C
- No.:
- #4
- pKa:
- ca. 3.4
- Temp.:
- 20 °C
Reference
Description of key information
Read-across from structural analogue 68555 -22 -6
Based on QSAR predictions by SPARC on-line.
Key value for chemical safety assessment
- pKa at 20°C:
- 10.2
Additional information
Based on predictions the pKa are 10.2, 9.0, 6.4 and 3.4
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