Registration Dossier
Registration Dossier
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EC number: 241-420-6 | CAS number: 17392-83-5
Dissociation constant
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:
- 1 995
- Bibliographic source:
- Quant. Struc. Act. Rel., 14, 348.
Materials and methods
- Principles of method if other than guideline:
- SPARC QSAR
Test material
- 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
Constituent 1
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.
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