Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2018/04/6
Reliability:
2 (reliable with restrictions)
Cross-reference
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
yes
Remarks:
Use of ethanol + toluene + water solvent
Other quality assurance:
ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)

Test material

Constituent 1
Chemical structure
Reference substance name:
Phenol, paraalkylation products with C10-15 branched olefins (C12 rich) derived from propene oligomerization, carbonates, calcium salts, sulfurized, including distillates (petroleum), hydrotreated, solvent-refined, solvent-dewaxed, or catalytic dewaxed, light or heavy paraffinic C15-C50
EC Number:
701-208-0
Molecular formula:
A precise molecular formula can not be provided as the substance is a UVCB.
IUPAC Name:
Phenol, paraalkylation products with C10-15 branched olefins (C12 rich) derived from propene oligomerization, carbonates, calcium salts, sulfurized, including distillates (petroleum), hydrotreated, solvent-refined, solvent-dewaxed, or catalytic dewaxed, light or heavy paraffinic C15-C50
Specific details on test material used for the study:
sample of the substance

Results and discussion

Dissociating properties:
ambiguous
Dissociation constantopen allclose all
No.:
#1
pKa:
ca. 8
Remarks on result:
other: determined by pKb
Remarks:
pH =7
No.:
#2
pKa:
ca. 7.2
Remarks on result:
other: determined by pKb
Remarks:
pH = 5

Applicant's summary and conclusion

Executive summary:

Due to the limited solubility of the sample in water, different solvents were evaluated to find the most suitable solvent system for the titration.

The sample was insoluble in ethanol-water solvent system at room temperature.

toluene-ethanol-water solvent system was used to calculate the pKb for OLOA 218A. As OECD 112 guideline for titration was no longer followed, the calculated Pkb 1 value using this solvent system is 6.8 and Pkb 2 value using this solvent system is 6.0.