Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment

Data source

Reference
Reference Type:
publication
Title:
Quantification of 4-hydroxy-2,5-dimethyl-3-furanone in fruit samples using solid phase microextraction coupled with gas chromatography–mass spectrometry
Author:
Yong Chen, Leonard M. Sidisky
Year:
2011
Bibliographic source:
Journal of Chromatography A, 1218 (2011) 6817– 6822

Materials and methods

Test guideline
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Version / remarks:
titration

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid
Details on test material:
- Name of test material (as cited in study report): Furaneol
- Physicalform: Solid
- Analytical purity: obtained from Aldrich (no purity, no batch number)

Results and discussion

Dissociating properties:
yes
Dissociation constant
No.:
#1
pKa:
8.56
Temp.:
20 °C

Any other information on results incl. tables

pKa for furaneol was determined as 8.56 ±0.01 (20°C, n = 3) with the titration and the least-square non-linear regression method.

The method had been validated by titrating NaH2PO4 aqueous solutions with NaOH standard solutions. And the pKa2 for phosphoric acid was determined to be 7.15 ±0.06.

Applicant's summary and conclusion

Conclusions:
Ionisation occurs in the environmental pH range.
Executive summary:

The publication describes determination of dissociation constant as preliminary work to other main study.

The procedure is similar to the OECD guideline, titration method with NaOH, at 20°C.

The pKa was determined to be 8.56.