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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
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Conducted at a GLP accredited laboratory
Justification for data waiving:
other:

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Experimental techniques are available for the determination of dissociation constant of a substance. These tests are described in OECD 112. They are Titration method, Spectrophotometric method and Conductometric method. The described tests cannot to be carried out because the sample (Suprasec 2029), reacts with water, hence an estimation based on a calculation has been carried out.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Methylenediphenyl diisocyanate
EC Number:
247-714-0
EC Name:
Methylenediphenyl diisocyanate
Cas Number:
26447-40-5
Molecular formula:
C15H10N2O2
IUPAC Name:
1,1'-methylenebis(2-isocyanatobenzene)

Results and discussion

Dissociating properties:
no

Any other information on results incl. tables

Experimental techniques are available for the determination of dissociation constant of a substance. These tests are described in OECD 112. They are Titration method, Spectrophotometric method and Conductometric method. The discribed tests cannot to be carried out because the sample (Suprasec 2029), reacts with water, hence an estimation based on a calculation has been carried out.

From the study of the chemical structure of Suprasec 2029, the parent compound isocyanate does not belong to the group of compounds for which measured acid dissociation constant or reaction constant is available in literature. As a result the dissociation constant cannot be estimated even though substituent constants are available for the amide and alkoxy substituent.

Applicant's summary and conclusion

Conclusions:
Based on the above assessment, the dissociation constant cannot be estimated.

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