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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
26.06.2012 - 25.07.2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to
Guideline:
other: as mention below
Principles of method if other than guideline:
Measurement of capacity of a compound to dissociate into respective ions.
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material: (1,1-Dimethylethyl)-4-methoxyphenol
- Common name: Tert-butyl-4-methoxyphenol
- Molecular formula: C11H16O2
- Molecular weight: 181.2533 g/mol
- Smiles notation: [*]C(C)(C)C.COc1ccc(O)cc1
- InChI: 1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
- Substance type: Organic
- Physical state: Solid
- Physical Appearance: White to pale yellow solid with a waxy appearance
Dissociating properties:
yes
No.:
#1
pKa:
0
Temp.:
27 °C
Remarks on result:
other: No other detail available
No.:
#2
pKa:
0
Temp.:
27 °C
Remarks on result:
other: No other detail available
No.:
#3
pKa:
0
Temp.:
27 °C
Remarks on result:
other: No other detail available
Conclusions:
The average experimental pKa value for test chemical was determine to be 0.000167333 at 27°C indicating that it has dissociation properties.
Executive summary:

The average experimental pKa value for test chemical was determine to be 0.000167333 at 27°C indicating that it has dissociation properties.

Description of key information

The average experimental pKa value for test chemical was determine to be 0.000167333 at 27°C indicating that it has dissociation properties.

Key value for chemical safety assessment

pKa at 20°C:
0

Additional information

The average experimental pKa value for test chemical was determine to be 0.000167333 at 27°C indicating that it has dissociation properties.