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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Link to relevant study record(s)

Reference
Endpoint:
dissociation constant
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Study period:
1998
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
Read-across result from a guideline test (non-GLP) for the analogue substance
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
GLP compliance:
no
Dissociating properties:
yes
No.:
#1
pKa:
5.682
Temp.:
20 °C
Remarks on result:
other: pH = 8.599
No.:
#2
pKa:
5.84
Temp.:
20 °C
Remarks on result:
other: pH = 8.489
No.:
#3
pKa:
5.898
Temp.:
20 °C
Remarks on result:
other: pH = 8.329
No.:
#4
pKa:
5.851
Temp.:
20 °C
Remarks on result:
other: pH = 8.134
No.:
#5
pKa:
5.749
Temp.:
20 °C
Remarks on result:
other: pH = 7.931
No.:
#6
pKa:
5.616
Temp.:
20 °C
Remarks on result:
other: pH = 7.724

A mean result of pKa = 5.76 was taken as the dissociation constant, with a standard deviation of 0.12.

Conclusions:
A dissociation constant of pKa = 5.76 has been determined for the structurally very similar substance, being considered representative for the reference substance.

Description of key information

The estimated pKa for the substance N,N,N',N'-Tetrakis(2-hydroxypropyl)adipicacidamide is estimated to be slightly, but insignificantly higher than 5.76, measured for N,N,N',N'-Tetrakis(2-hydroxyethyl)adipicacidamide.

Key value for chemical safety assessment

pKa at 20°C:
5.76

Additional information

The target substance is a secondary alcohol, the structure of which is very similar with that of the analogue substance that is a primary alcohol. Therefore, it is reasonable to predict that the dissociation constant of the target substance is a little bit larger than 5.76, which means it is more difficult to dissociate in water.