Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Only result available.

Data source

Reference
Reference Type:
secondary source
Title:
No information
Bibliographic source:
SciFinder: Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
3-Hydroxy-2-[(2E)-2-(6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl]-2-methylcyclopentanone
EC Number:
613-827-2
Cas Number:
6563-82-2
Molecular formula:
C19H24O3
IUPAC Name:
3-Hydroxy-2-[(2E)-2-(6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)ethyl]-2-methylcyclopentanone

Results and discussion

Dissociation constant
No.:
#1
pKa:
14.1
Temp.:
25 °C
Remarks on result:
other: Error: 0.40

Applicant's summary and conclusion