Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Study period:
28 March-27 June 2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Estimation but sufficiciently reliable considering the result (no Pka in range 1-14)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report Date:
2011

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation was performed using the Perrin calculation method (pKalc 5.0, module in Pallas 3.0, CompuDrug International, San Francisco, CA, USA).
GLP compliance:
yes (incl. certificate)

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
Identification: Neosolue-Aqulio
Molecular formula: C20H36O8
Molecular structure: see 'reference substance' section 1
Molecular weight: 404.5
CAS Number: 922165-31-9
Description: Clear colourless to very pale yellow liquid
Batch: TVI-714
Purity: 99.5% (GC)
Test substance storage: At room temperature in the dark
Stability under storage conditions: Stable
Expiry date: 07 October 2012 (Retest date)

Results and discussion

Dissociating properties:
no

Any other information on results incl. tables

No pKa values for acidic and basic groups in the molecular structure of the test substance were calculated in the logarithm range of 1 - 14.

Applicant's summary and conclusion

Conclusions:
No pKa values for acidic and basic groups in the molecular structure of the test substance were calculated in the logarithm range of 1 - 14.