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Diss Factsheets

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: Calculation

Data source

Reference
Reference Type:
publication
Title:
Multivariate discrimination between modes of toxic action of phenols
Author:
APTULA A.O., NETZEVA T.I., VALKOVA I.V., CRONIN M.T.D., SCHULTZ T.W., KÜHNE R., SCHÜÜRMANN G.
Year:
2002
Bibliographic source:
Quant. Struct.-Act. Relat., 21, 12-22

Materials and methods

Principles of method if other than guideline:
calculation
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Guaiacol
EC Number:
201-964-7
EC Name:
Guaiacol
Cas Number:
90-05-1
Molecular formula:
C7H8O2
IUPAC Name:
2-methoxyphenol
Details on test material:
no data

Results and discussion

Dissociation constant
pKa:
9.99
Remarks on result:
other: Acid-base constant: pKa = 9.99

Applicant's summary and conclusion

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