Registration Dossier

Diss Factsheets

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:
2017
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

Constituent 1
Chemical structure
Reference substance name:
Ethylidynetrimethanol
EC Number:
201-063-9
EC Name:
Ethylidynetrimethanol
Cas Number:
77-85-0
Molecular formula:
C5H12O3
IUPAC Name:
ethylidynetrimethanol
Test material form:
solid: granular

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.