Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

Currently viewing:

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated by SPARC, a program sanctioned by the U.S. Environmental Protection Agency

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculated by a validated structure-activity program
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Triethyl citrate
EC Number:
201-070-7
EC Name:
Triethyl citrate
Cas Number:
77-93-0
Molecular formula:
C12H20O7
IUPAC Name:
triethyl citrate
Details on test material:
not applicable

Results and discussion

Dissociating properties:
no
Dissociation constant
No.:
#1
pKa:
-6.24
Temp.:
20 °C

Applicant's summary and conclusion

Conclusions:
The dissociation constant of the substance was estimated based on chemical structure, with a finding of -6.24. This is outside the range of plausible environmental pH values. The interpretation is that the substance does not dissociate under relevant conditions.