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EC number: 202-577-6 | CAS number: 97-39-2
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:
- 2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- GLP compliance:
- yes
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- ca. 10.67
- Temp.:
- 25 °C
- Conclusions:
- According to CERI (2004), dissociation constant of 1,3-di-o-tolylguanidine is about 10.67.
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source : MLPC International -- 11011461158
- grad EK DOTG C
- purity by titration = 97.8 %
- oil amount = 1.3 %
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 2 years - Dissociating properties:
- yes
- No.:
- #1
- pKa:
- ca. 11.05
- Temp.:
- 20 °C
- Conclusions:
- Dissociation Constant of DOTG is determined to be 11.05.
- Executive summary:
pKa = 11.05
Referenceopen allclose all
Results
1) 10.67
2) 10.67
3) 10.66
Average: 10.67
01/08/2012 | Tampon10 ml | NaOH 10N ml | DOTG ml | pH | Abs | volume total | Abs réel | ((Absacide-Abs)/(Abs-Absbasique)) | log |
2 | 15 | 0.1 | 15 | 10.6 | 0.245 | 30.1 | 0.244 | 0.272 | -0.566 |
3 | 15 | 0.12 | 15 | 10.8 | 0.278 | 30.11 | 0.277 | 0.485 | -0.315 |
4 | 15 | 0.13 | 15 | 10.9 | 0.306 | 30.12 | 0.305 | 0.730 | -0.137 |
5 | 15 | 0.15 | 15 | 11.2 | 0.364 | 30.15 | 0.362 | 1.626 | 0.211 |
6 | 15 | 0.2 | 15 | 11.9 | 0.447 | 30.2 | 0.444 | 9.048 | 0.957 |
Description of key information
According to different methods, pKa of DOTG (1,3-di-o-tolylguanidine) is about 10.5 +/- 1.
Key value for chemical safety assessment
- pKa at 20°C:
- 10.5
Additional information
Three evaluation of pKa of DOTG (1,3 -di-o-tolylguanidine) is made :
Using an estimation with SPARC, the value of 9.9 is found.
With Advanced Chemistry Development software (ACD/labs) V11.02, pKa of 1,3-di-o-tolylguanidine is on the range 10.22-10.42 at 25°C.
According to CERI (2004), dissociation constant of 1,3-di-o-tolylguanidine is measure to be about 10.67.
According to analysis performed at MLPC, pKa of DOTG is 11.5.
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