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Diss Factsheets

Administrative data

Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: QSAR
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
A Rigorous Test for SPARC's Chemical Reactivity Models: Estimation of More Than 4300 Ionization pKa's
Author:
Hilal, Said, S. W. Karickhoff and L. A. Carreira
Year:
1995
Bibliographic source:
Quant. Struc. Act. Rel., 14, 348.

Materials and methods

Principles of method if other than guideline:
SPARC QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
Methyl (R)-lactate
EC Number:
241-420-6
EC Name:
Methyl (R)-lactate
Cas Number:
17392-83-5
Molecular formula:
C4H8O3
IUPAC Name:
methyl 2-hydroxypropanoate

Results and discussion

Dissociating properties:
no
Dissociation constant
Temp.:
20 °C

Any other information on results incl. tables

No observable pKa reported

Applicant's summary and conclusion

Conclusions:
Not dissociating.