Registration Dossier
Registration Dossier
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EC number: 201-063-9 | CAS number: 77-85-0
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental phase started 16th June 2016 and completed 15th Jan 2017.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Guideline:
- other: estimated using the specialist estimation software, I-Lab 2.0, Algorithm Version: v5.0.0.184, provided by Advanced Chemistry Development, Inc., (ACD), Toronto, Canada.
- Principles of method if other than guideline:
- estimated using the specialist estimation software, I-Lab 2.0, Algorithm Version: v5.0.0.184, provided by Advanced Chemistry Development, Inc., (ACD), Toronto, Canada.
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- Ethylidynetrimethanol
- EC Number:
- 201-063-9
- EC Name:
- Ethylidynetrimethanol
- Cas Number:
- 77-85-0
- Molecular formula:
- C5H12O3
- IUPAC Name:
- 2-(hydroxymethyl)-2-methylpropane-1,3-diol
- Test material form:
- solid: granular
Constituent 1
Results and discussion
- Dissociating properties:
- yes
- Remarks:
- PKa in calculated to be > 14.
Dissociation constant
- No.:
- #1
- Remarks on result:
- other: The PKa was estimated by calculation as > 14
Applicant's summary and conclusion
- Conclusions:
- Using this software, the dissociation constant was estimated to be greater than 14.
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