Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference
Reference Type:
other: calculation
Title:
SPARC pKa calculation (October 2011 release w4.6.1691-s4.6.1687)
Author:
Environmental Protection Agency (US)
Year:
2014
Bibliographic source:
US EPA. 2014. SPARC Performs Automated Reasoning in Chemistry. United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Principles of method if other than guideline:
SPARC is being designed to provide physical properties and chemical reactivity parameters describing factors for air, water and other environmental media needed to develop and apply models such as the Environmental Fate Simulator and Reaction Pathway Simulator.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-ethoxyethylamine
EC Number:
203-801-5
EC Name:
2-ethoxyethylamine
Cas Number:
110-76-9
Molecular formula:
C4H11NO
IUPAC Name:
2-ethoxyethylamine

Results and discussion

Dissociating properties:
not determined
Dissociation constant
No.:
#1
pKa:
9.32
Temp.:
25 °C

Applicant's summary and conclusion