Registration Dossier
Registration Dossier
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EC number: 614-947-8 | CAS number: 693217-63-9
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 2012
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Qualifier:
- according to guideline
- Guideline:
- other: EU A6 Regulation (EC)
- GLP compliance:
- yes
Test material
- Reference substance name:
- Soybean oil, reaction products with ethaneperoxoic acid
- Cas Number:
- 693217-63-9
- Molecular formula:
- C59 H106 O11
- IUPAC Name:
- Soybean oil, reaction products with ethaneperoxoic acid
- Details on test material:
- - Name of test material (as cited in study report): Hydroxylated soybean oil
- Physical state: Liquid
- Lot/batch No.: 12-3.6-ASO-004
Constituent 1
Results and discussion
- Dissociating properties:
- not determined
Applicant's summary and conclusion
- Conclusions:
- The dissociation constant Agrol 3.6 is not measureable. The complex nature of the test substance along with low water solubility properties led to the conclusion that the standard experimental techniques for measurement of dissociation constant by titration as described in OECD 112 were not applicable.
- Executive summary:
Preparation of an aqueous solution of Agrol 3.6 indicated that the test substance had minimal solubility in water. This observation is supported by water solubility data presented in the Agrol MSDS. The OECD 112 test guideline specifies that a minimal amount of a water miscible solvent may be used if the test substance is only sparingly water soluble. Accordingly, the sample was initially dissolved in 5 ml of methanol then diluted to 50ml using deionized water. Dissolution in methanol was also proved to be unsuccessful. Going forward, the aqueous solution of the Agrol 3.6 was titrated initially with 0.1N hydrochloric (HCl) acid. A Metrohm 835 Titrando equipped with a 10ml burette along with a Unitrode pH electrode was used for the potentiometric titrations. Evaluation indicated that the sample solution produced a titration curve having no endpoints. Subsequent titration with 0.1N sodium hydroxide produced a titration curve having similar results. The low water solubility properties led to the conclusion that the techniques for measurement of dissociation constant by titration were not applicable. Figures 1 and 2 provide an illustration of the titration plots.
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