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Diss Factsheets

Administrative data

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
no
GLP compliance:
yes

Test material

Constituent 1
Chemical structure
Reference substance name:
Pivalic acid
EC Number:
200-922-5
EC Name:
Pivalic acid
Cas Number:
75-98-9
Molecular formula:
C5H10O2
IUPAC Name:
2,2-dimethylpropanoic acid
Details on test material:
- Name of test material (as cited in study report): MRD-64-1
- Substance type: white crystalline powder
Specific details on test material used for the study:
Test item: Pivalic Acid.
Test item identity (including alternative names): 2, 2-dimethylpropanoic acid, VERSATIC™ Acid 5.
CAS number: 75-98-9
Intended use: Industrial Chemical, used in many chemical manufacturing processes.
Appearance: White crystalline solid at 20. .
Storage conditions: At ambient temperature (15 to 25C).
Supplier: Sponsor
Batch number: PV8A0174
Expiry date: Technical data sheet stated that the shelf life should be three years starting from the date of manufacture.
Physical state Solid at 20°C, liquid at 35°C.
Purity: 99.4%

Results and discussion

Dissociating properties:
yes
Dissociation constant
pKa:
4.85
Temp.:
20 °C

Applicant's summary and conclusion

Conclusions:
The dissociation constant in water of the test item at 20.0 ± 0.5 °C has been determined to be 4.85.
Executive summary:

The dissociation constant in water of Pivalic acid at 20.0 ± 0.5 °C has been determined to be 4.85, using a titration method designed to be compatible with Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981.