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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Administrative data

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Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Data reported in the Hazardous Substances Data Bank. The test material is not identical to registration substance, but is a constituent of the registration substance.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Data reported in the Hazardous Substances Data Bank
GLP compliance:
no
Specific details on test material used for the study:
The registration substance is a mixture (UVCB). Different components of a mixture may have different pKa values. Therefore the data is given for constituent of the registration substance:
2,4-xylenol
Dissociating properties:
yes
No.:
#1
pKa:
10.6
Temp.:
25 °C
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Data reported in Hazardous Substances Data Bank. The test material is not identical to registration substance, but is a constituent of the registration substance.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Data reported in Hazardous Substances Data Bank
GLP compliance:
no
Specific details on test material used for the study:
The registration substance is a mixture (UVCB). Different components of a mixture may have different pKa values. Therefore the data is given for constituent of the registration substance:
3,5-xylenol
Dissociating properties:
yes
No.:
#1
pKa:
10.19
Temp.:
25 °C
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Remarks:
Data reported on the Hazardous Substances Data Bank. The test material is not identical to registration substance, but is a constituent of the registration substance.
Qualifier:
no guideline followed
Principles of method if other than guideline:
Data published in the Hazardous Substances Data Bank
GLP compliance:
no
Specific details on test material used for the study:
The registration substance is a mixture (UVCB). Different components of a mixture may have different pKa values. Therefore the data is given for constituent of the registration substance:
2,5-xylenol
Dissociating properties:
yes
No.:
#1
pKa:
10.41
Temp.:
25 °C
No.:
#1
pKa:
10.3
Remarks on result:
other: temperature not reported

Temperature is not reported in the Blackman Article

Description of key information

pKa: 10.2 - 10.6 at 25 °C

Values of individual constituents:

2,4-xylenol: 10.6 at 25 °C

2,5-xylenol: 10.4 at 25 °C

3,5-xylenol: 10.2 at 25 °C

Key value for chemical safety assessment

Additional information

The reported values for the dissociation constants of the main constituents of Tar acids, xylenol fraction range from pKa values of 10.19 -10.6