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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
other distribution data
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: software application
Title:
US EPA . Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10 . United States Environmental Protection Agency, Washington, DC, USA ; KOAWIN™ Version 1.10 [2010]
Author:
U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460
Year:
2013
Bibliographic source:
http://www.epa.gov/oppt/exposure/pubs/episuite.htm

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs Chapter R.6 , May 2008
Principles of method if other than guideline:
The estimation for Octanol-Air Partition Coefficient (KOA) of the test material was performed with US-EPA software EPIWIN/KOAWIN v1.10.This program (KOAWIN) estimates the Octanol-Air Partition Coefficient (KOA) of an organic compound using the compound's octanol-water partition coefficient (Kow) and Henry's Law constant (HLC).
GLP compliance:
no
Remarks:
(not applicable)
Type of study:
other: QSAR calculation
Media:
other: octanol-air

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(2-pyridyl)ethanol
EC Number:
203-140-2
EC Name:
2-(2-pyridyl)ethanol
Cas Number:
103-74-2
Molecular formula:
C7H9NO
IUPAC Name:
2-(pyridin-2-yl)ethan-1-ol
Test material form:
not specified
Details on test material:
- Name of test material (as cited in study report) : 2-Pyridineethanol
- SMILES : n(c(ccc1)CCO)c1

Results and discussion

Any other information on results incl. tables

Koa (octanol/air) estimate: 8.53e+007

Applicant's summary and conclusion

Conclusions:
The study report describes a scientifically accepted calculation method for the soil absorption characteristics using the US-EPA software KOAWIN v1.10. No GLP criteria are applicable for the usage of this tool and the QSAR estimation is easily repeatable.
Executive summary:

The prediction for Octanol-Air Partition Coefficient (Koa) of the test substance was determined by the computer program KOAWIN v1.10 (EPIWIN software) by US-EPA .This program (KOAWIN) estimates the Octanol-Air Partition Coefficient (Koa) of an organic compound using the compound's octanol-water partition coefficient (Kow) and Henry's Law constant (HLC).The octanol-air partition coefficient (Koa) is the ratio of a chemical's concentration in octanol to the concentration in air at equilibrium.

The prediction resulting in a Koa value of 8.53e+007 .