Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
May - June 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study done according to guideline and GLP

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
no
GLP compliance:
yes (incl. QA statement)

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(1,3-dihydroxypropoxy)propane-1,3-diol; 3-{3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy}propane-1,2-diol; nonane-1,2,4,5,6,8,9-heptol
EC Number:
915-741-3
Cas Number:
25618-55-7
Molecular formula:
not applicable - multi-constituent substance
IUPAC Name:
1-(1,3-dihydroxypropoxy)propane-1,3-diol; 3-{3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy}propane-1,2-diol; nonane-1,2,4,5,6,8,9-heptol
Constituent 2
Reference substance name:
Polyglycerol-3
IUPAC Name:
Polyglycerol-3
Details on test material:
- Name of test material (as cited in study report): Polyglycerol-3
- Substance type: organic liquid
- Batch RBA120111F

Results and discussion

Dissociating properties:
no

Any other information on results incl. tables

The test substance Polyglycerol-3 is a mixture, consisting of diglycerol, triglycerol, tetraglycerol, pentaglycerol, hexaglycerol and higher. No pKa values for acidic and basic groups in the molecular structure of diglycerol and triglycerol (main compounds in Polyglycerol-3) were calculated in the logarithm range of 1-13 using the Perrin calculation method. pKa values for the other compounds in the test substance are comparable to the pKa values calculated for diglycerol and triglycerol since they do contain the same functional groups.

Applicant's summary and conclusion

Conclusions:
The compounds present in Polyglycerol-3 do not have pKa values in the logarithm range of 1-13.