Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
12 February 2015 - 26 February 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP-compliant study in accordance with OECD 112 and EPA OPPTS 830.7370 guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2015
Report Date:
2015

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Version / remarks:
(1981)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7370 (Dissociation constants in water)
Version / remarks:
(1996)
Deviations:
no
GLP compliance:
yes

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Details on test material:
- Description: White crystalline powder
- Storage conditions: At room temperature in the dark

Results and discussion

Dissociating properties:
yes
Dissociation constantopen allclose all
No.:
#1
pKa:
2.3
Temp.:
20 °C
Remarks on result:
other: acidic group
No.:
#2
pKa:
3.5
Temp.:
20 °C
Remarks on result:
other: acidic group

Any other information on results incl. tables

Table: acidic pKavalues of the test substance

 Test  PKa1  PKa2
 1  2.44  3.46
 2  2.30  3.47
 3  2.26  3.49
 Mean  2.3  3.5

Applicant's summary and conclusion

Conclusions:
In a GLP-compliant study in accordance with OECD 112 and EPA OPPTS 830.7370 using the titration method, the pKa values for dissociation of the two acidic groups in the substance were determined to be 2.3 and 3.5.