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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
experimental study
Adequacy of study:
key study
Study period:
from August 05,2008 to October 21,2008
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: In compliance with the Good Laboratory Practice Standards (Directive 2004/10/EC – French decree No. 2006-1523) and the Standard Operating Procedures in use at DEFITRACES.
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2008
Report date:
2008

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: in compliance with the Good Laboratory Practice Standards (Directive 2004/10/EC – French decree No. 2006-1523) and the Standard Operating Procedures in use at DEFITRACES.
Deviations:
no
GLP compliance:
yes (incl. QA statement)

Test material

Constituent 1
Chemical structure
Reference substance name:
Isosorbide Diesters
EC Number:
700-073-5
Cas Number:
1215036-04-6
Molecular formula:
As it is an UVCB, we can not provide the exact molecular formula.
IUPAC Name:
Isosorbide Diesters

Results and discussion

Dissociating properties:
no
Dissociation constant
pKa:
> 16 - < 17

Any other information on results incl. tables

The chemical functions present in ISOSORBIDE DIESTERS are:

- Cyclic ether functions

- Ester functions

ISOSORBIDE DIESTERS has no function liable to confer acid or basic properties to the product. There are no interchangeable protons (e.g. with D2O).

A chemical reaction of ISOSORBIDE DIESTERS with a sufficiently strong base able to grab in a stoichiometric way a proton from the substance will certainly lead to a chemical modification (e.g. hydrolysis of the esters, ring opening).

Furthermore, ISOSORBIDE DIESTERS is slightly soluble in water. It was shown during study 07-918023-003 that the solubility in water is equal or lower than 5 mg/L.

All these reasons together make that no pKa can be measured and that the pH of a ISOSORBIDE DIESTERS solution will be near neutrality.

Taking an alcohol function as example (estimated pKa about 16 to 17), it can be accepted that the pKa of ISOSORBIDE DIESTERS is higher than 16.

Applicant's summary and conclusion

Conclusions:
Following the above analysis, the pKa of ISOSORBIDE DIESTERS cannot be measured. It can be estimated to be = 16.
A ISOSORBIDE DIESTERS solution will be near neutrality and the pH will be near that of the water used for the dissolution.
Executive summary:

ISOSORBIDE DIESTERS has no function liable to confer acid or basic properties to the product.

There are no interchangeable protons (e.g. with D2O).

Following the chemical rules, the pKa of ISOSORBIDE DIESTERS cannot be measured. It can be estimated to be = 16.

ISOSORBIDE DIESTERS is slightly soluble in water (equal or lower than 5 mg/L)* and has no acid or basic functions; therefore an aqueous solution will be near neutrality and the pH will be near that of the water used for the dissolution.

* See study 07-918023-003