Registration Dossier
Registration Dossier
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EC number: 235-741-0 | CAS number: 12645-31-7
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: non GLP Study conducted in accordance with internationally accepted guideline.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- GLP compliance:
- no
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 3.1
- Temp.:
- 25 °C
- Remarks on result:
- other: 1st step
- No.:
- #2
- pKa:
- 7.5
- Temp.:
- 25 °C
- Remarks on result:
- other: 2nd step
- Conclusions:
- pKa 1st step = 3.1 and pKa 2nd step = 7.5
- Executive summary:
The dissociation constant of the test itemwas determined according to OECD Guideline 112. titration method and EPA Product Properties Test Guideline OPPTS 830.7370.
The mean value of three determinations at room temperature (approx. 25 °C) was:
pKa 1ststep = 3.1
pKa 2ndstep = 7.5
Reference
Description of key information
pKa = 3.1 (#1), 7.5 (#2); Dornhagen (2012); OECD 112
Key value for chemical safety assessment
- pKa at 20°C:
- 3.1
Additional information
pKa was determined in accordance with OECD Guideline 102 (dissociation constants in water).
The mean values determined using this method were:
pKa 1st step = 3.1
pKa 2nd step = 7.5
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