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Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated and accepted QSAR tool developped by the OECD
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR toolbox
Title:
OECD QSAR Application toolbox v 1.1.02
Author:
OECD
Year:
2008
Bibliographic source:
Organization for Economic Co-operation and Development (OECD), Paris, France.

Materials and methods

Principles of method if other than guideline:
The estimation was made using the EpiSuite software integrated in the OECD QSAR Application Toolbox. The EPI (Estimation Programs Interface) Suite™ is a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by the EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC). EPI Suite™ uses a single input to run the following estimation programs: KOWWIN™, AOPWIN™, HENRYWIN™, MPBPWIN™, BIOWIN™, BioHCwin, KOCWIN™, WSKOWWIN™, WATERNT™, BCFBAF™, HYDROWIN™, KOAWIN and AEROWIN™, and the fate models WVOLWIN™, STPWIN™ and LEV3EPI™. ECOSAR™, which estimates ecotoxicity, is also included in EPI Suite™.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3-chloropropane-1,2-diol
EC Number:
202-492-4
EC Name:
3-chloropropane-1,2-diol
Cas Number:
96-24-2
Molecular formula:
C3H7ClO2
IUPAC Name:
3-chloropropane-1,2-diol

Results and discussion

Adsorption coefficient
Type:
Koc
Value:
1

Applicant's summary and conclusion

Conclusions:
The Koc was reported to be 1, using the EpiSuite QSAR tool.

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